3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide

C16H18ClNO2S — CID 675724

IUPAC3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C16H18ClNO2S/c1-20-11-7-8-12-13(9-11)21-15(14(12)17)16(19)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeyRIPWAJCBMXIRRW-UHFFFAOYSA-N
MW323.84 g/mol
LogP4.63
Rot. Bonds3

About 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide

3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 675724) has the molecular formula C16H18ClNO2S and a molecular weight of 323.84 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID675724
Molecular FormulaC16H18ClNO2S
Molecular Weight323.84 g/mol
Exact Mass323.07
IUPAC Name3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C16H18ClNO2S/c1-20-11-7-8-12-13(9-11)21-15(14(12)17)16(19)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeyRIPWAJCBMXIRRW-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R,2R)-2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2377769
[2-(cyclohexylamino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 23852646
[2-(cyclopropylamino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 23987979
3-chloro-N-[(cyclopropanecarbonylamino)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 4514085
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 119389377
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3-chloro-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 4514088
3-chloro-N-cyclopropyl-6-nitro-1-benzothiophene-2-carboxamide
CID 831416
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
3-chloro-6-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 34315616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide (CID 675724) is 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1.
What is the InChIKey of 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is RIPWAJCBMXIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-20-11-7-8-12-13(9-11)21-15(14(12)17)16(19)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 323.84 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 675724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).