5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide

C19H24N4O4S — CID 56579091

IUPAC5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
SMILESCCN(C)c1cccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H24N4O4S/c1-5-23(3)16-8-6-7-14(11-16)21-19(25)17-12-15(20-13(2)24)9-10-18(17)22-28(4,26)27/h6-12,22H,5H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyBFNHWTVODDOYCQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.72
Rot. Bonds7

About 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide (PubChem CID 56579091) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
PubChem CID56579091
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
SMILESCCN(C)c1cccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H24N4O4S/c1-5-23(3)16-8-6-7-14(11-16)21-19(25)17-12-15(20-13(2)24)9-10-18(17)22-28(4,26)27/h6-12,22H,5H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyBFNHWTVODDOYCQ-UHFFFAOYSA-N
XLogP2.72
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 56579205

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide (CID 56579091) is 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide is CCN(C)c1cccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)c1.
What is the InChIKey of 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is BFNHWTVODDOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-5-23(3)16-8-6-7-14(11-16)21-19(25)17-12-15(20-13(2)24)9-10-18(17)22-28(4,26)27/h6-12,22H,5H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56579091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).