N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide

C18H23NOS — CID 110497075

IUPACN-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCCCC2)sc2ccccc12
InChIInChI=1S/C18H23NOS/c1-2-8-15-14-11-6-7-12-16(14)21-17(15)18(20)19-13-9-4-3-5-10-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20)
InChIKeyOIKBLTFNYXZCEL-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.92
Rot. Bonds4

About N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide

N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110497075) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110497075
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCCCC2)sc2ccccc12
InChIInChI=1S/C18H23NOS/c1-2-8-15-14-11-6-7-12-16(14)21-17(15)18(20)19-13-9-4-3-5-10-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20)
InChIKeyOIKBLTFNYXZCEL-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
N-[4-(cyclopentylcarbamoyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55958337
1-(3-propyl-1-benzothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 110498505
1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-cyclohexylurea
CID 2837015
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666350
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
CID 110500861
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide (CID 110497075) is N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)NC2CCCCC2)sc2ccccc12.
What is the InChIKey of N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is OIKBLTFNYXZCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-8-15-14-11-6-7-12-16(14)21-17(15)18(20)19-13-9-4-3-5-10-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide?
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 301.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110497075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).