N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C15H20N2O5S — CID 56861416

IUPACN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-16(10-14(19)11-5-7-12(18)8-6-11)15(20)13-4-3-9-17(13)23(2,21)22/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyIGBAGWFEMJIANM-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.46
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56861416) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID56861416
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H20N2O5S/c1-16(10-14(19)11-5-7-12(18)8-6-11)15(20)13-4-3-9-17(13)23(2,21)22/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyIGBAGWFEMJIANM-UHFFFAOYSA-N
XLogP0.46
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 55003930
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429285
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56864939
4-[methyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoic acid
CID 43360144
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
2-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]-methylamino]acetic acid
CID 119172337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 56861416) is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(CC(=O)c1ccc(O)cc1)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IGBAGWFEMJIANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16(10-14(19)11-5-7-12(18)8-6-11)15(20)13-4-3-9-17(13)23(2,21)22/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56861416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).