(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

C20H24N2O2S — CID 124721737

IUPAC(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-15-7-9-16(10-8-15)14-21-20(24)18-6-3-11-22(18)19(23)13-17-5-4-12-25-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyAHRXPCBNVIXYPG-SFHVURJKSA-N
MW356.49 g/mol
LogP3.16
Rot. Bonds6

About (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 124721737) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID124721737
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-15-7-9-16(10-8-15)14-21-20(24)18-6-3-11-22(18)19(23)13-17-5-4-12-25-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyAHRXPCBNVIXYPG-SFHVURJKSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136532625
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
(2S)-1-propanoyl-N-[4-[(E)-2-[4-[[(2S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768918
N-(1-adamantyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839728
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 56523566
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
N-[1-(oxolan-2-yl)ethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136578840
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 146357871
1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 86831977
(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 58768723
N-(4-nitrophenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839958

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (CID 124721737) is (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is CCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1.
What is the InChIKey of (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is AHRXPCBNVIXYPG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-15-7-9-16(10-8-15)14-21-20(24)18-6-3-11-22(18)19(23)13-17-5-4-12-25-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124721737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).