2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C91H86N24O19S2 — CID 172956143

IUPAC2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCC(C(=O)N/N=C/c1ccco1)n1nnc2ccccc21.COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O.Cn1cccc1CC(=O)N/N=C\c1ccco1.O=C(CNC(=O)c1ccccc1O)N/N=C/c1ccco1.O=C(Cc1cccs1)NNCc1ccco1.O=C(N/N=C/c1ccco1)c1ccccc1[N+](=O)[O-].O=C(N/N=C\C=C\c1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12N4O2S.C14H13N5O2.C14H13N3O4.C13H14N4O3.C12H9N3O4.C12H13N3O2.C11H12N2O2S/c20-15(19-16-7-1-4-11-5-2-8-21-11)13-10-12(17-18-13)14-6-3-9-22-14;1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19;18-12-6-2-1-5-11(12)14(20)15-9-13(19)17-16-8-10-4-3-7-21-10;1-17-7-6-10(16-17)13(19)15-14-8-9-4-3-5-11(20-2)12(9)18;16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18;1-15-6-2-4-10(15)8-12(16)14-13-9-11-5-3-7-17-11;14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-10H,(H,17,18)(H,19,20);2-10H,1H3,(H,17,20);1-8,18H,9H2,(H,15,20)(H,17,19);3-8,18H,1-2H3,(H,15,19);1-8H,(H,14,16);2-7,9H,8H2,1H3,(H,14,16);1-6,12H,7-8H2,(H,13,14)/b4-1+,16-7-;15-9+;16-8+;14-8+;13-8+;13-9-;
InChIKeyJBEDTFZCMGXGME-MTEGFLFASA-N
MW1883.97 g/mol
LogP11.63
Rot. Bonds31

About 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 172956143) has the molecular formula C91H86N24O19S2 and a molecular weight of 1883.97 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID172956143
Molecular FormulaC91H86N24O19S2
Molecular Weight1883.97 g/mol
Exact Mass1882.59
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCC(C(=O)N/N=C/c1ccco1)n1nnc2ccccc21.COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O.Cn1cccc1CC(=O)N/N=C\c1ccco1.O=C(CNC(=O)c1ccccc1O)N/N=C/c1ccco1.O=C(Cc1cccs1)NNCc1ccco1.O=C(N/N=C/c1ccco1)c1ccccc1[N+](=O)[O-].O=C(N/N=C\C=C\c1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12N4O2S.C14H13N5O2.C14H13N3O4.C13H14N4O3.C12H9N3O4.C12H13N3O2.C11H12N2O2S/c20-15(19-16-7-1-4-11-5-2-8-21-11)13-10-12(17-18-13)14-6-3-9-22-14;1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19;18-12-6-2-1-5-11(12)14(20)15-9-13(19)17-16-8-10-4-3-7-21-10;1-17-7-6-10(16-17)13(19)15-14-8-9-4-3-5-11(20-2)12(9)18;16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18;1-15-6-2-4-10(15)8-12(16)14-13-9-11-5-3-7-17-11;14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-10H,(H,17,18)(H,19,20);2-10H,1H3,(H,17,20);1-8,18H,9H2,(H,15,20)(H,17,19);3-8,18H,1-2H3,(H,15,19);1-8H,(H,14,16);2-7,9H,8H2,1H3,(H,14,16);1-6,12H,7-8H2,(H,13,14)/b4-1+,16-7-;15-9+;16-8+;14-8+;13-8+;13-9-;
InChIKeyJBEDTFZCMGXGME-MTEGFLFASA-N
XLogP11.63
TPSA572.80 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001883.97
LogP ≤ 511.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;methane;N-[3-[(3-methoxyphenyl)methyl-[(5-methoxy-3-pyridinyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 159663787
N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one
CID 172942792

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 172956143) is 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is CC(C(=O)N/N=C/c1ccco1)n1nnc2ccccc21.COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O.Cn1cccc1CC(=O)N/N=C\c1ccco1.O=C(CNC(=O)c1ccccc1O)N/N=C/c1ccco1.O=C(Cc1cccs1)NNCc1ccco1.O=C(N/N=C/c1ccco1)c1ccccc1[N+](=O)[O-].O=C(N/N=C\C=C\c1ccco1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is JBEDTFZCMGXGME-MTEGFLFASA-N. The full InChI is InChI=1S/C15H12N4O2S.C14H13N5O2.C14H13N3O4.C13H14N4O3.C12H9N3O4.C12H13N3O2.C11H12N2O2S/c20-15(19-16-7-1-4-11-5-2-8-21-11)13-10-12(17-18-13)14-6-3-9-22-14;1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19;18-12-6-2-1-5-11(12)14(20)15-9-13(19)17-16-8-10-4-3-7-21-10;1-17-7-6-10(16-17)13(19)15-14-8-9-4-3-5-11(20-2)12(9)18;16-12(14-13-8-9-4-3-7-19-9)10-5-1-2-6-11(10)15(17)18;1-15-6-2-4-10(15)8-12(16)14-13-9-11-5-3-7-17-11;14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-10H,(H,17,18)(H,19,20);2-10H,1H3,(H,17,20);1-8,18H,9H2,(H,15,20)(H,17,19);3-8,18H,1-2H3,(H,15,19);1-8H,(H,14,16);2-7,9H,8H2,1H3,(H,14,16);1-6,12H,7-8H2,(H,13,14)/b4-1+,16-7-;15-9+;16-8+;14-8+;13-8+;13-9-;.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 1883.97 g/mol, XLogP of 11.63, 31 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide;N-[(E)-furan-2-ylmethylideneamino]-2-nitrobenzamide;N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide;N'-(furan-2-ylmethyl)-2-thiophen-2-ylacetohydrazide;N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172956143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).