N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide

C19H22N2O3S — CID 25308070

IUPACN-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCN2C[C@@H](NC(=O)c3sccc3C)CC2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-8-10-25-18(13)19(23)20-15-11-17(22)21(12-15)9-7-14-3-5-16(24-2)6-4-14/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyROIDFRIJOMGSOP-HNNXBMFYSA-N
MW358.46 g/mol
LogP2.64
Rot. Bonds6

About N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide

N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 25308070) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID25308070
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(CCN2C[C@@H](NC(=O)c3sccc3C)CC2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-8-10-25-18(13)19(23)20-15-11-17(22)21(12-15)9-7-14-3-5-16(24-2)6-4-14/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyROIDFRIJOMGSOP-HNNXBMFYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-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

N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 42195544
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45246334
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-propan-2-ylsulfanylacetamide
CID 95730256
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
1-(3-methoxyphenyl)-3-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]urea
CID 42516811
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
(4R)-4-(dimethylsulfamoylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine
CID 42362146

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide (CID 25308070) is N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide is COc1ccc(CCN2C[C@@H](NC(=O)c3sccc3C)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is ROIDFRIJOMGSOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-8-10-25-18(13)19(23)20-15-11-17(22)21(12-15)9-7-14-3-5-16(24-2)6-4-14/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide?
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 25308070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).