N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H24N2O2S — CID 55749611

IUPACN-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)s1
InChIInChI=1S/C20H24N2O2S/c1-13(2)15-5-4-6-17(9-15)22-12-16(10-19(22)23)20(24)21-11-18-8-7-14(3)25-18/h4-9,13,16H,10-12H2,1-3H3,(H,21,24)
InChIKeyPHXLKGZWFKCXLJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.85
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55749611) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55749611
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)s1
InChIInChI=1S/C20H24N2O2S/c1-13(2)15-5-4-6-17(9-15)22-12-16(10-19(22)23)20(24)21-11-18-8-7-14(3)25-18/h4-9,13,16H,10-12H2,1-3H3,(H,21,24)
InChIKeyPHXLKGZWFKCXLJ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[2-oxo-2-(propylamino)ethyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053458
(3R)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 30892212
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55556177
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55744996
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947153
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086836
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054423
N-(4-imidazol-1-ylbutyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55980420
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55749611) is N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PHXLKGZWFKCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13(2)15-5-4-6-17(9-15)22-12-16(10-19(22)23)20(24)21-11-18-8-7-14(3)25-18/h4-9,13,16H,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55749611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).