5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide

C26H28N4O4S — CID 1054868

IUPAC5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O4S/c1-19(31)28-21-9-12-23(13-10-21)35(33,34)29-22-11-14-25(30-15-5-6-16-30)24(17-22)26(32)27-18-20-7-3-2-4-8-20/h2-4,7-14,17,29H,5-6,15-16,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyDFSTWTUHMPWKLF-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.98
Rot. Bonds8

About 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide

5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 1054868) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide
PubChem CID1054868
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C26H28N4O4S/c1-19(31)28-21-9-12-23(13-10-21)35(33,34)29-22-11-14-25(30-15-5-6-16-30)24(17-22)26(32)27-18-20-7-3-2-4-8-20/h2-4,7-14,17,29H,5-6,15-16,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyDFSTWTUHMPWKLF-UHFFFAOYSA-N
XLogP3.98
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
4-[4-(benzenesulfonamido)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42679047
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-benzyl-5-[(4-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide (CID 1054868) is 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is DFSTWTUHMPWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-19(31)28-21-9-12-23(13-10-21)35(33,34)29-22-11-14-25(30-15-5-6-16-30)24(17-22)26(32)27-18-20-7-3-2-4-8-20/h2-4,7-14,17,29H,5-6,15-16,18H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide?
5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 492.60 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1054868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).