N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C18H22N2OS — CID 35181299

IUPACN-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-6-8-15(9-7-14)16(20-10-2-3-11-20)13-19-18(21)17-5-4-12-22-17/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCAVBGLFXHSEFMB-MRXNPFEDSA-N
MW314.45 g/mol
LogP3.62
Rot. Bonds5

About N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 35181299) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID35181299
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-6-8-15(9-7-14)16(20-10-2-3-11-20)13-19-18(21)17-5-4-12-22-17/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCAVBGLFXHSEFMB-MRXNPFEDSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 40890198
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 35181299) is N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is CAVBGLFXHSEFMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-8-15(9-7-14)16(20-10-2-3-11-20)13-19-18(21)17-5-4-12-22-17/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35181299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).