(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C20H24N2O2S — CID 92584962

IUPAC(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C20H24N2O2S/c1-3-18(23)22-10-9-20(14-22,19(24)21-2)12-15-4-6-16(7-5-15)17-8-11-25-13-17/h4-8,11,13H,3,9-10,12,14H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyHCTYQFKAHRGPQB-FQEVSTJZSA-N
MW356.49 g/mol
LogP3.33
Rot. Bonds5

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

(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92584962) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92584962
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C20H24N2O2S/c1-3-18(23)22-10-9-20(14-22,19(24)21-2)12-15-4-6-16(7-5-15)17-8-11-25-13-17/h4-8,11,13H,3,9-10,12,14H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyHCTYQFKAHRGPQB-FQEVSTJZSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92584958
(3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609800
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-1-(2-ethylbutanoyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92585837
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605129
(3R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95848779
(3R)-N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592370
(3S)-N-propan-2-yl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579734
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
(3R)-1-(2-methylpyrazole-3-carbonyl)-N-propan-2-yl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579957

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92584962) is (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1.
What is the InChIKey of (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HCTYQFKAHRGPQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-18(23)22-10-9-20(14-22,19(24)21-2)12-15-4-6-16(7-5-15)17-8-11-25-13-17/h4-8,11,13H,3,9-10,12,14H2,1-2H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92584962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).