3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide

C17H22N2OS — CID 107932175

IUPAC3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCC(C)C3)c(N)c2c1
InChIInChI=1S/C17H22N2OS/c1-10-4-3-5-12(8-10)19-17(20)16-15(18)13-9-11(2)6-7-14(13)21-16/h6-7,9-10,12H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyAEMXRXABGYEZBM-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.10
Rot. Bonds2

About 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide (PubChem CID 107932175) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
PubChem CID107932175
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCC(C)C3)c(N)c2c1
InChIInChI=1S/C17H22N2OS/c1-10-4-3-5-12(8-10)19-17(20)16-15(18)13-9-11(2)6-7-14(13)21-16/h6-7,9-10,12H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyAEMXRXABGYEZBM-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932329
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
3-amino-4-bromo-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114888956
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303
2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 99991856
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide (CID 107932175) is 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCCC(C)C3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is AEMXRXABGYEZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10-4-3-5-12(8-10)19-17(20)16-15(18)13-9-11(2)6-7-14(13)21-16/h6-7,9-10,12H,3-5,8,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).