5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide

C21H26N4O5S — CID 56516493

IUPAC5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N4O5S/c1-13(26)22-16-10-11-18(25-31(5,29)30)17(12-16)20(28)23-15-8-6-14(7-9-15)19(27)24-21(2,3)4/h6-12,25H,1-5H3,(H,22,26)(H,23,28)(H,24,27)
InChIKeyHSALAPKUNRCGJR-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.80
Rot. Bonds6

About 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide (PubChem CID 56516493) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
PubChem CID56516493
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Name5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N4O5S/c1-13(26)22-16-10-11-18(25-31(5,29)30)17(12-16)20(28)23-15-8-6-14(7-9-15)19(27)24-21(2,3)4/h6-12,25H,1-5H3,(H,22,26)(H,23,28)(H,24,27)
InChIKeyHSALAPKUNRCGJR-UHFFFAOYSA-N
XLogP2.80
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
3-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 56513830
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
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
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide (CID 56516493) is 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is HSALAPKUNRCGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-13(26)22-16-10-11-18(25-31(5,29)30)17(12-16)20(28)23-15-8-6-14(7-9-15)19(27)24-21(2,3)4/h6-12,25H,1-5H3,(H,22,26)(H,23,28)(H,24,27).
What are the key properties of 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 446.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56516493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).