5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide

C20H22N4O5S — CID 56515740

IUPAC5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22N4O5S/c1-12(25)21-16-8-9-18(24-30(2,28)29)17(11-16)20(27)23-15-5-3-4-14(10-15)22-19(26)13-6-7-13/h3-5,8-11,13,24H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyARGWYPGJTOCXNW-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.62
Rot. Bonds7

About 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide (PubChem CID 56515740) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
PubChem CID56515740
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22N4O5S/c1-12(25)21-16-8-9-18(24-30(2,28)29)17(11-16)20(27)23-15-5-3-4-14(10-15)22-19(26)13-6-7-13/h3-5,8-11,13,24H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyARGWYPGJTOCXNW-UHFFFAOYSA-N
XLogP2.62
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 55585903
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453672
3-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 56513830
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide (CID 56515740) is 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is ARGWYPGJTOCXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-12(25)21-16-8-9-18(24-30(2,28)29)17(11-16)20(27)23-15-5-3-4-14(10-15)22-19(26)13-6-7-13/h3-5,8-11,13,24H,6-7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 430.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56515740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).