N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

C19H28N2O2S — CID 4210660

IUPACN-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESCN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C19H28N2O2S/c1-21(17(22)14-16-10-7-13-24-16)19(11-5-2-6-12-19)18(23)20-15-8-3-4-9-15/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChIKeyYKTWLPBCMUTXNZ-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 4210660) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID4210660
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESCN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C19H28N2O2S/c1-21(17(22)14-16-10-7-13-24-16)19(11-5-2-6-12-19)18(23)20-15-8-3-4-9-15/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChIKeyYKTWLPBCMUTXNZ-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide
CID 3893384
1-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-N-cycloheptylcyclohexane-1-carboxamide
CID 86810128
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 3250615
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 3238369
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
1-[methyl(4-thiophen-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120540062
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (CID 4210660) is N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is CN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is YKTWLPBCMUTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-21(17(22)14-16-10-7-13-24-16)19(11-5-2-6-12-19)18(23)20-15-8-3-4-9-15/h7,10,13,15H,2-6,8-9,11-12,14H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 4210660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).