N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide

C16H24N2O5S — CID 95118554

IUPACN-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(N([C@@H](C)C(=O)N2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-12(16(19)17-9-5-6-10-17)18(24(4,20)21)13-7-8-14(22-2)15(11-13)23-3/h7-8,11-12H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyDLOXYJBTHZSFIH-LBPRGKRZSA-N
MW356.44 g/mol
LogP1.48
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide

N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide (PubChem CID 95118554) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
PubChem CID95118554
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(N([C@@H](C)C(=O)N2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-12(16(19)17-9-5-6-10-17)18(24(4,20)21)13-7-8-14(22-2)15(11-13)23-3/h7-8,11-12H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyDLOXYJBTHZSFIH-LBPRGKRZSA-N
XLogP1.48
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide 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

N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
ethyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 132672880
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 50946275
N-(2-methoxy-5-methylphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95119201
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
CID 2240774
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118849
N-(3,4-dimethylphenyl)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2972905
N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1077619
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide (CID 95118554) is N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide is COc1ccc(N([C@@H](C)C(=O)N2CCCC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
The InChIKey is DLOXYJBTHZSFIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12(16(19)17-9-5-6-10-17)18(24(4,20)21)13-7-8-14(22-2)15(11-13)23-3/h7-8,11-12H,5-6,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 95118554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).