N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide

C23H24N2O2S — CID 112846041

IUPACN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C23H24N2O2S/c1-15-13-16(22(26)24-17-7-3-2-4-8-17)11-12-20(15)25-23(27)19-14-28-21-10-6-5-9-18(19)21/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyALMIVSOBODBXRK-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.52
Rot. Bonds4

About N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide (PubChem CID 112846041) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
PubChem CID112846041
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C23H24N2O2S/c1-15-13-16(22(26)24-17-7-3-2-4-8-17)11-12-20(15)25-23(27)19-14-28-21-10-6-5-9-18(19)21/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyALMIVSOBODBXRK-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
5-(1-benzothiophene-3-carbonylamino)-N-(3-hydroxycyclopentyl)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512110
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55879301
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 55880187
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 176510239
6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide
CID 55879934

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide (CID 112846041) is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide?
The InChIKey is ALMIVSOBODBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-15-13-16(22(26)24-17-7-3-2-4-8-17)11-12-20(15)25-23(27)19-14-28-21-10-6-5-9-18(19)21/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide?
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112846041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).