N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide

C17H25N3O4S — CID 50831051

IUPACN-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-4-11-18-16(21)15-6-5-12-20(15)17(22)13-7-9-14(10-8-13)19-25(2,23)24/h7-10,15,19H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyNLAPCBIDABQEMX-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.58
Rot. Bonds7

About N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide

N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 50831051) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
PubChem CID50831051
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-4-11-18-16(21)15-6-5-12-20(15)17(22)13-7-9-14(10-8-13)19-25(2,23)24/h7-10,15,19H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyNLAPCBIDABQEMX-UHFFFAOYSA-N
XLogP1.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[4-[(4-chlorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50831007
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
(2S)-N-butyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92729966
N-butyl-1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830822
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729955
(2R)-N-butyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729977
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
(2R)-N-butyl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728376
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50830840
1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 50831114

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide (CID 50831051) is N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide is CCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is NLAPCBIDABQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-4-11-18-16(21)15-6-5-12-20(15)17(22)13-7-9-14(10-8-13)19-25(2,23)24/h7-10,15,19H,3-6,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide?
N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).