N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C20H23N3O4S — CID 46763734

IUPACN-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)21-18-5-4-6-19(13-18)22-20(25)17-9-7-16(8-10-17)14-28(26,27)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyLRGUJANAWVJYQZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.82
Rot. Bonds6

About N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 46763734) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID46763734
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)21-18-5-4-6-19(13-18)22-20(25)17-9-7-16(8-10-17)14-28(26,27)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyLRGUJANAWVJYQZ-UHFFFAOYSA-N
XLogP2.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46763294
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide
CID 126420739
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 46763734) is N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is LRGUJANAWVJYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15(24)21-18-5-4-6-19(13-18)22-20(25)17-9-7-16(8-10-17)14-28(26,27)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).