3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide

C17H24N2OS — CID 107932423

IUPAC3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C17H24N2OS/c1-5-10(2)8-12(4)19-17(20)16-15(18)13-9-11(3)6-7-14(13)21-16/h6-7,9-10,12H,5,8,18H2,1-4H3,(H,19,20)
InChIKeyHDBDHASRKZHNKV-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.35
Rot. Bonds5

About 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107932423) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID107932423
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C17H24N2OS/c1-5-10(2)8-12(4)19-17(20)16-15(18)13-9-11(3)6-7-14(13)21-16/h6-7,9-10,12H,5,8,18H2,1-4H3,(H,19,20)
InChIKeyHDBDHASRKZHNKV-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932269
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-chloro-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 83178744
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 856673

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide (CID 107932423) is 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide is CCC(C)CC(C)NC(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is HDBDHASRKZHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-10(2)8-12(4)19-17(20)16-15(18)13-9-11(3)6-7-14(13)21-16/h6-7,9-10,12H,5,8,18H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.35, 5 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-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).