N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide

C19H17N3O4S2 — CID 7470378

IUPACN-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
SMILESNS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S2/c20-28(25,26)15-10-8-14(9-11-15)21-18(17(23)16-7-4-12-27-16)22-19(24)13-5-2-1-3-6-13/h1-12,18,21H,(H,22,24)(H2,20,25,26)/t18-/m0/s1
InChIKeyFFTQQLYPVRAJIA-SFHVURJKSA-N
MW415.50 g/mol
LogP2.45
Rot. Bonds7

About N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide

N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 7470378) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
PubChem CID7470378
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
SMILESNS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S2/c20-28(25,26)15-10-8-14(9-11-15)21-18(17(23)16-7-4-12-27-16)22-19(24)13-5-2-1-3-6-13/h1-12,18,21H,(H,22,24)(H2,20,25,26)/t18-/m0/s1
InChIKeyFFTQQLYPVRAJIA-SFHVURJKSA-N
XLogP2.45
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[(1R)-2,2,2-tribromo-1-(4-sulfamoylanilino)ethyl]benzamide
CID 1380220
N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1161225
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34318112
N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1323835
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide (CID 7470378) is N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide is NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1.
What is the InChIKey of N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is FFTQQLYPVRAJIA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c20-28(25,26)15-10-8-14(9-11-15)21-18(17(23)16-7-4-12-27-16)22-19(24)13-5-2-1-3-6-13/h1-12,18,21H,(H,22,24)(H2,20,25,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide?
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7470378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).