3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide

C17H22N2OS — CID 107932155

IUPAC3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCCCC3)c(N)c2c1
InChIInChI=1S/C17H22N2OS/c1-11-8-9-14-13(10-11)15(18)16(21-14)17(20)19-12-6-4-2-3-5-7-12/h8-10,12H,2-7,18H2,1H3,(H,19,20)
InChIKeyMBXXHSFGKXTUCI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.24
Rot. Bonds2

About 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932155) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932155
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCCCC3)c(N)c2c1
InChIInChI=1S/C17H22N2OS/c1-11-8-9-14-13(10-11)15(18)16(21-14)17(20)19-12-6-4-2-3-5-7-12/h8-10,12H,2-7,18H2,1H3,(H,19,20)
InChIKeyMBXXHSFGKXTUCI-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 107932175
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
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-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide (CID 107932155) is 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCCCCC3)c(N)c2c1.
What is the InChIKey of 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is MBXXHSFGKXTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-8-9-14-13(10-11)15(18)16(21-14)17(20)19-12-6-4-2-3-5-7-12/h8-10,12H,2-7,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).