N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide

C18H17N3O5S — CID 5349028

IUPACN-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-13-4-8-16(9-5-13)27(23,24)20-12-15-7-6-14(26-15)11-19-21-18(22)17-3-2-10-25-17/h2-11,20H,12H2,1H3,(H,21,22)/b19-11+
InChIKeyRZOFEFGPYMDOKO-YBFXNURJSA-N
MW387.42 g/mol
LogP2.42
Rot. Bonds7

About N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide

N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 5349028) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID5349028
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C18H17N3O5S/c1-13-4-8-16(9-5-13)27(23,24)20-12-15-7-6-14(26-15)11-19-21-18(22)17-3-2-10-25-17/h2-11,20H,12H2,1H3,(H,21,22)/b19-11+
InChIKeyRZOFEFGPYMDOKO-YBFXNURJSA-N
XLogP2.42
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-phenylmethylidene]furan-2-carbohydrazide
CID 6869164
N'-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-2-furohydrazide
CID 9613794
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2081197
N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}-4-methyl-N-(4-methylbenzyl)benzenesulfonamide
CID 6877077
CID 16193431
CID 16193431
N-benzyl-N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide (non-preferred name)
CID 6894657
(2S)-N-[(E)-2-furylmethyleneamino]-3-phenyl-2-(p-tolylsulfonylamino)propanamide
CID 44592522
4-(azepan-1-ylsulfonyl)-N'-[(Z)-furan-2-ylmethylidene]benzohydrazide
CID 5534577
N-[(2-methyl-3-phenylprop-2-enylidene)amino]furan-2-carboxamide
CID 760174
N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 5801210
(E)-N-(2-(2-(furan-2-ylmethylene)hydrazinyl)-2-oxoethyl)-4-methylbenzenesulfonamide
CID 9665549
(E)-N-(3-(2-(furan-2-ylmethylene)hydrazinyl)-3-oxopropyl)-4-methylbenzenesulfonamide
CID 16958182

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide (CID 5349028) is N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide is Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1.
What is the InChIKey of N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is RZOFEFGPYMDOKO-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-13-4-8-16(9-5-13)27(23,24)20-12-15-7-6-14(26-15)11-19-21-18(22)17-3-2-10-25-17/h2-11,20H,12H2,1H3,(H,21,22)/b19-11+.
What are the key properties of N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5349028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).