N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide

C15H21N3O4S — CID 110664435

IUPACN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)18-12-6-4-11(5-7-12)3-2-10-16-15(20)13-8-9-14(19)17-13/h4-7,13,18H,2-3,8-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyIPHHZBJEWPDYIQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.39
Rot. Bonds7

About N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide

N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110664435) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110664435
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)18-12-6-4-11(5-7-12)3-2-10-16-15(20)13-8-9-14(19)17-13/h4-7,13,18H,2-3,8-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyIPHHZBJEWPDYIQ-UHFFFAOYSA-N
XLogP0.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
5-cyclopropyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613401
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide (CID 110664435) is N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide is CS(=O)(=O)Nc1ccc(CCCNC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IPHHZBJEWPDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-23(21,22)18-12-6-4-11(5-7-12)3-2-10-16-15(20)13-8-9-14(19)17-13/h4-7,13,18H,2-3,8-10H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide?
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110664435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).