N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C14H19N3O4S — CID 42651861

IUPACN-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)16-8-7-15-14(19)11-9-13(18)17(10-11)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,15,19)
InChIKeyMBYBRLIBYMSCSV-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.30
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 42651861) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID42651861
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)16-8-7-15-14(19)11-9-13(18)17(10-11)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,15,19)
InChIKeyMBYBRLIBYMSCSV-UHFFFAOYSA-N
XLogP-0.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.30
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

(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872
(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 36903548
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2-(furan-3-carbonylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94612242

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 42651861) is N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CS(=O)(=O)NCCNC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is MBYBRLIBYMSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-22(20,21)16-8-7-15-14(19)11-9-13(18)17(10-11)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,15,19).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42651861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).