(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide

C22H25N3O3S — CID 92895030

IUPAC(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCC2)c1)c1ccsc1
InChIInChI=1S/C22H25N3O3S/c26-20(16-10-12-29-14-16)24-18-8-3-5-15(13-18)22(28)25-11-4-9-19(25)21(27)23-17-6-1-2-7-17/h3,5,8,10,12-14,17,19H,1-2,4,6-7,9,11H2,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyPNPXIRFCHCRIOR-LJQANCHMSA-N
MW411.53 g/mol
LogP3.66
Rot. Bonds5

About (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide

(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92895030) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
PubChem CID92895030
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCC2)c1)c1ccsc1
InChIInChI=1S/C22H25N3O3S/c26-20(16-10-12-29-14-16)24-18-8-3-5-15(13-18)22(28)25-11-4-9-19(25)21(27)23-17-6-1-2-7-17/h3,5,8,10,12-14,17,19H,1-2,4,6-7,9,11H2,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyPNPXIRFCHCRIOR-LJQANCHMSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-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

(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243601
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide (CID 92895030) is (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCC2)c1)c1ccsc1.
What is the InChIKey of (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is PNPXIRFCHCRIOR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-20(16-10-12-29-14-16)24-18-8-3-5-15(13-18)22(28)25-11-4-9-19(25)21(27)23-17-6-1-2-7-17/h3,5,8,10,12-14,17,19H,1-2,4,6-7,9,11H2,(H,23,27)(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92895030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).