1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide

C38H45FN2O2S2 — CID 143295541

IUPAC1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccc(F)cc2)CCCC1.Cc1ccc(C2(C(=O)N(C)CCc3cccs3)CCCC2)cc1
InChIInChI=1S/C20H25NOS.C18H20FNOS/c1-16-7-9-17(10-8-16)20(12-3-4-13-20)19(22)21(2)14-11-18-6-5-15-23-18;1-20(13-16-5-4-12-22-16)17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h5-10,15H,3-4,11-14H2,1-2H3;4-9,12H,2-3,10-11,13H2,1H3
InChIKeyHKAJAQIGFZGOGM-UHFFFAOYSA-N
MW644.92 g/mol
LogP8.93
Rot. Bonds9

About 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide

1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide (PubChem CID 143295541) has the molecular formula C38H45FN2O2S2 and a molecular weight of 644.92 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
PubChem CID143295541
Molecular FormulaC38H45FN2O2S2
Molecular Weight644.92 g/mol
Exact Mass644.29
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccc(F)cc2)CCCC1.Cc1ccc(C2(C(=O)N(C)CCc3cccs3)CCCC2)cc1
InChIInChI=1S/C20H25NOS.C18H20FNOS/c1-16-7-9-17(10-8-16)20(12-3-4-13-20)19(22)21(2)14-11-18-6-5-15-23-18;1-20(13-16-5-4-12-22-16)17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h5-10,15H,3-4,11-14H2,1-2H3;4-9,12H,2-3,10-11,13H2,1H3
InChIKeyHKAJAQIGFZGOGM-UHFFFAOYSA-N
XLogP8.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.92
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
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CID 47718655
N,2-dimethyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 113368557
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide (CID 143295541) is 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide is CN(Cc1cccs1)C(=O)C1(c2ccc(F)cc2)CCCC1.Cc1ccc(C2(C(=O)N(C)CCc3cccs3)CCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is HKAJAQIGFZGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS.C18H20FNOS/c1-16-7-9-17(10-8-16)20(12-3-4-13-20)19(22)21(2)14-11-18-6-5-15-23-18;1-20(13-16-5-4-12-22-16)17(21)18(10-2-3-11-18)14-6-8-15(19)9-7-14/h5-10,15H,3-4,11-14H2,1-2H3;4-9,12H,2-3,10-11,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 644.92 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 143295541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).