N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide

C22H22N4O6S2 — CID 10207318

IUPACN-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C22H22N4O6S2/c23-33(29,30)19-7-3-1-5-17(19)15-9-11-16(12-10-15)22(28)25-14-13-21(27)26-18-6-2-4-8-20(18)34(24,31)32/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,23,29,30)(H2,24,31,32)
InChIKeyMEWZLFVZZQZELW-UHFFFAOYSA-N
MW502.57 g/mol
LogP1.41
Rot. Bonds8

About N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide

N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide (PubChem CID 10207318) has the molecular formula C22H22N4O6S2 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
PubChem CID10207318
Molecular FormulaC22H22N4O6S2
Molecular Weight502.57 g/mol
Exact Mass502.10
IUPAC NameN-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C22H22N4O6S2/c23-33(29,30)19-7-3-1-5-17(19)15-9-11-16(12-10-15)22(28)25-14-13-21(27)26-18-6-2-4-8-20(18)34(24,31)32/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,23,29,30)(H2,24,31,32)
InChIKeyMEWZLFVZZQZELW-UHFFFAOYSA-N
XLogP1.41
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4,5-difluoro-2-nitroanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
CID 10118025
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
4-[2-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[3-(4-bromo-2-nitroanilino)-3-oxopropyl]benzamide
CID 142065418
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
CID 142083128
N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide
CID 142030083
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 55984716
N-[4-(4-bromoanilino)-4-oxobutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10118630
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide (CID 10207318) is N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is MEWZLFVZZQZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6S2/c23-33(29,30)19-7-3-1-5-17(19)15-9-11-16(12-10-15)22(28)25-14-13-21(27)26-18-6-2-4-8-20(18)34(24,31)32/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,23,29,30)(H2,24,31,32).
What are the key properties of N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide?
N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 502.57 g/mol, XLogP of 1.41, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10207318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).