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

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Related Compounds

3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
3-amino-N-(1-cyclopropylpropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113119
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001
3-amino-7-methyl-N-(3-methylsulfonylpropyl)-1-benzothiophene-2-carboxamide
CID 107112968
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570

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).