3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide

C17H22N2OS — CID 107112840

IUPAC3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCC3CCCCC3)sc12
InChIInChI=1S/C17H22N2OS/c1-11-6-5-9-13-14(18)16(21-15(11)13)17(20)19-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,18H2,1H3,(H,19,20)
InChIKeyFVUZURAFERGPFC-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.10
Rot. Bonds3

About 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107112840) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
PubChem CID107112840
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCC3CCCCC3)sc12
InChIInChI=1S/C17H22N2OS/c1-11-6-5-9-13-14(18)16(21-15(11)13)17(20)19-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,18H2,1H3,(H,19,20)
InChIKeyFVUZURAFERGPFC-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide (CID 107112840) is 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NCC3CCCCC3)sc12.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is FVUZURAFERGPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-6-5-9-13-14(18)16(21-15(11)13)17(20)19-10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).