5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide

C20H24N4O4S — CID 56579334

IUPAC5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C20H24N4O4S/c1-14(25)21-16-8-9-19(23-29(2,27)28)18(13-16)20(26)22-15-6-5-7-17(12-15)24-10-3-4-11-24/h5-9,12-13,23H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyASOOSMPYOOWXLH-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.87
Rot. Bonds6

About 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide

5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 56579334) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID56579334
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C20H24N4O4S/c1-14(25)21-16-8-9-19(23-29(2,27)28)18(13-16)20(26)22-15-6-5-7-17(12-15)24-10-3-4-11-24/h5-9,12-13,23H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyASOOSMPYOOWXLH-UHFFFAOYSA-N
XLogP2.87
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.87
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-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 56539881
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 56579334) is 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is ASOOSMPYOOWXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14(25)21-16-8-9-19(23-29(2,27)28)18(13-16)20(26)22-15-6-5-7-17(12-15)24-10-3-4-11-24/h5-9,12-13,23H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 416.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 56579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).