(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide

C19H24N2OS — CID 97006888

IUPAC(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c1-14-10-11-18(23-14)15(2)20-19(22)17-9-6-12-21(17)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyJHWZQPMGEBSWFZ-DOTOQJQBSA-N
MW328.48 g/mol
LogP3.90
Rot. Bonds5

About (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 97006888) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID97006888
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c1-14-10-11-18(23-14)15(2)20-19(22)17-9-6-12-21(17)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyJHWZQPMGEBSWFZ-DOTOQJQBSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
CID 60615305
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 118773170
(E)-2-[(1-benzylpyrrolidine-2-carbonyl)amino]hex-4-enoic acid
CID 120694302
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 97006888) is (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide is Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)s1.
What is the InChIKey of (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JHWZQPMGEBSWFZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-10-11-18(23-14)15(2)20-19(22)17-9-6-12-21(17)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97006888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).