N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H20N2O4S — CID 650028

IUPACN-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)15-4-8-17(9-5-15)20-19(23)16-6-10-18(11-7-16)26(24,25)21-12-2-3-13-21/h4-11H,2-3,12-13H2,1H3,(H,20,23)
InChIKeyKMBJBNLUHJNGLD-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.93
Rot. Bonds5

About N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 650028) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID650028
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)15-4-8-17(9-5-15)20-19(23)16-6-10-18(11-7-16)26(24,25)21-12-2-3-13-21/h4-11H,2-3,12-13H2,1H3,(H,20,23)
InChIKeyKMBJBNLUHJNGLD-UHFFFAOYSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
4-acetyl-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 9073769
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 2557228
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 650028) is N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KMBJBNLUHJNGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14(22)15-4-8-17(9-5-15)20-19(23)16-6-10-18(11-7-16)26(24,25)21-12-2-3-13-21/h4-11H,2-3,12-13H2,1H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 650028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).