(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C22H26N2O2S — CID 92605129

IUPAC(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1
InChIInChI=1S/C22H26N2O2S/c1-23(2)21(26)22(10-11-24(15-22)20(25)18-7-8-18)13-16-3-5-17(6-4-16)19-9-12-27-14-19/h3-6,9,12,14,18H,7-8,10-11,13,15H2,1-2H3/t22-/m0/s1
InChIKeyRPFGKKNEKXMENH-QFIPXVFZSA-N
MW382.53 g/mol
LogP3.67
Rot. Bonds5

About (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92605129) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92605129
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1
InChIInChI=1S/C22H26N2O2S/c1-23(2)21(26)22(10-11-24(15-22)20(25)18-7-8-18)13-16-3-5-17(6-4-16)19-9-12-27-14-19/h3-6,9,12,14,18H,7-8,10-11,13,15H2,1-2H3/t22-/m0/s1
InChIKeyRPFGKKNEKXMENH-QFIPXVFZSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605173
1-(bicyclo[4.1.0]heptane-7-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231587
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083669
(3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605333
(3R)-N,N-dimethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 136851062
1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231592
(3R)-1-(3-methoxybenzoyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605401
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
(3R)-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92584958
(3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605559

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92605129) is (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RPFGKKNEKXMENH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-23(2)21(26)22(10-11-24(15-22)20(25)18-7-8-18)13-16-3-5-17(6-4-16)19-9-12-27-14-19/h3-6,9,12,14,18H,7-8,10-11,13,15H2,1-2H3/t22-/m0/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92605129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).