(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

C21H26N2O3S — CID 93149666

IUPAC(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-6-8-16(9-7-15)17-13-23(21(25)19-5-3-12-27-19)14-18(17)20(24)22-10-4-11-26-2/h3,5-9,12,17-18H,4,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyGSHCGKKOWYDPJM-QZTJIDSGSA-N
MW386.52 g/mol
LogP3.07
Rot. Bonds7

About (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 93149666) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID93149666
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-6-8-16(9-7-15)17-13-23(21(25)19-5-3-12-27-19)14-18(17)20(24)22-10-4-11-26-2/h3,5-9,12,17-18H,4,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyGSHCGKKOWYDPJM-QZTJIDSGSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-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

(3R,4R)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 93149659
(3S,4R)-N-(3-methoxypropyl)-1-(3-methylbutanoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 97479027
(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150296
1-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680230
(3R,4R)-4-(4-fluorophenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93151516
(3R,4R)-4-(3-fluorophenyl)-N-(3-methylbutyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152586
(3S,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151567
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496
1-(4-methylbenzoyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42826243
[4-(2-methylphenyl)piperazin-1-yl]-[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methanone
CID 42680513
(3S,4R)-1-benzoyl-4-(2-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93152787
4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 42681001

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 93149666) is (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is COCCCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is GSHCGKKOWYDPJM-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-6-8-16(9-7-15)17-13-23(21(25)19-5-3-12-27-19)14-18(17)20(24)22-10-4-11-26-2/h3,5-9,12,17-18H,4,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93149666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).