N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C16H23NOS — CID 25163640

IUPACN-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C16H23NOS/c1-11-7-8-14-12(9-11)10-15(19-14)16(18)17-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyJRZURHWEHUDHMQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.94
Rot. Bonds2

About N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 25163640) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID25163640
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C16H23NOS/c1-11-7-8-14-12(9-11)10-15(19-14)16(18)17-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyJRZURHWEHUDHMQ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxamide
CID 1490444
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467189
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
5-Ethyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 25163640) is N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)NC3CCCCC3)cc2C1.
What is the InChIKey of N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is JRZURHWEHUDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-7-8-14-12(9-11)10-15(19-14)16(18)17-13-5-3-2-4-6-13/h10-11,13H,2-9H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.43 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25163640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).