N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C20H25N3O2S — CID 166252290

IUPACN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CCCC2c2cccc(C)c2)c(C)s1
InChIInChI=1S/C20H25N3O2S/c1-4-21-19(24)18-12-16(14(3)26-18)22-20(25)23-10-6-9-17(23)15-8-5-7-13(2)11-15/h5,7-8,11-12,17H,4,6,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTVROTAJGUJJVRV-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.48
Rot. Bonds4

About N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 166252290) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID166252290
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CCCC2c2cccc(C)c2)c(C)s1
InChIInChI=1S/C20H25N3O2S/c1-4-21-19(24)18-12-16(14(3)26-18)22-20(25)23-10-6-9-17(23)15-8-5-7-13(2)11-15/h5,7-8,11-12,17H,4,6,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyTVROTAJGUJJVRV-UHFFFAOYSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
CID 126839117
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
ethyl 4-[[[(2R)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 94080915
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110900682

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 166252290) is N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is CCNC(=O)c1cc(NC(=O)N2CCCC2c2cccc(C)c2)c(C)s1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is TVROTAJGUJJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-21-19(24)18-12-16(14(3)26-18)22-20(25)23-10-6-9-17(23)15-8-5-7-13(2)11-15/h5,7-8,11-12,17H,4,6,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166252290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).