2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C16H18N2OS — CID 62842162

IUPAC2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C16H18N2OS/c1-10-4-2-5-12(17)15(10)16(19)18-13-6-3-7-14-11(13)8-9-20-14/h2,4-5,8-9,13H,3,6-7,17H2,1H3,(H,18,19)
InChIKeyQBQLZBVUUHFVNA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 62842162) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID62842162
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC1CCCc2sccc21
InChIInChI=1S/C16H18N2OS/c1-10-4-2-5-12(17)15(10)16(19)18-13-6-3-7-14-11(13)8-9-20-14/h2,4-5,8-9,13H,3,6-7,17H2,1H3,(H,18,19)
InChIKeyQBQLZBVUUHFVNA-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 62842162) is 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is Cc1cccc(N)c1C(=O)NC1CCCc2sccc21.
What is the InChIKey of 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is QBQLZBVUUHFVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-4-2-5-12(17)15(10)16(19)18-13-6-3-7-14-11(13)8-9-20-14/h2,4-5,8-9,13H,3,6-7,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 62842162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).