N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide

C23H25NOS — CID 54774316

IUPACN-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)cc3sccc23)cc1
InChIInChI=1S/C23H25NOS/c1-16-8-10-17(11-9-16)21-14-18(15-22-20(21)12-13-26-22)23(25)24(2)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3
InChIKeyRERPAEQEQXMMBO-UHFFFAOYSA-N
MW363.53 g/mol
LogP6.28
Rot. Bonds3

About N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide

N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide (PubChem CID 54774316) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide
PubChem CID54774316
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC NameN-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)cc3sccc23)cc1
InChIInChI=1S/C23H25NOS/c1-16-8-10-17(11-9-16)21-14-18(15-22-20(21)12-13-26-22)23(25)24(2)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3
InChIKeyRERPAEQEQXMMBO-UHFFFAOYSA-N
XLogP6.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide (CID 54774316) is N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)cc3sccc23)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide?
The InChIKey is RERPAEQEQXMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c1-16-8-10-17(11-9-16)21-14-18(15-22-20(21)12-13-26-22)23(25)24(2)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide?
N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(4-methylphenyl)-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 54774316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).