N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C21H20N4O5S2 — CID 6377891

IUPACN-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H20N4O5S2/c1-14(15-6-10-18(11-7-15)30-13-19(22)26)23-24-21(27)16-4-8-17(9-5-16)25-32(28,29)20-3-2-12-31-20/h2-12,25H,13H2,1H3,(H2,22,26)(H,24,27)/b23-14-
InChIKeyRGZZPCCSBPLEID-UCQKPKSFSA-N
MW472.55 g/mol
LogP2.57
Rot. Bonds9

About N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6377891) has the molecular formula C21H20N4O5S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6377891
Molecular FormulaC21H20N4O5S2
Molecular Weight472.55 g/mol
Exact Mass472.09
IUPAC NameN-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H20N4O5S2/c1-14(15-6-10-18(11-7-15)30-13-19(22)26)23-24-21(27)16-4-8-17(9-5-16)25-32(28,29)20-3-2-12-31-20/h2-12,25H,13H2,1H3,(H2,22,26)(H,24,27)/b23-14-
InChIKeyRGZZPCCSBPLEID-UCQKPKSFSA-N
XLogP2.57
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 4246349
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6047512
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6390874
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide
CID 17126701
N-[(E)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6177739
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923781
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 6377891) is N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is RGZZPCCSBPLEID-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H20N4O5S2/c1-14(15-6-10-18(11-7-15)30-13-19(22)26)23-24-21(27)16-4-8-17(9-5-16)25-32(28,29)20-3-2-12-31-20/h2-12,25H,13H2,1H3,(H2,22,26)(H,24,27)/b23-14-.
What are the key properties of N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 472.55 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6377891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).