2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H16N2O2S — CID 678544

IUPAC2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C16H16N2O2S/c17-14(19)13-11-8-4-5-9-12(11)21-16(13)18-15(20)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,19)(H,18,20)
InChIKeyZYIMILUMMMUVLQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.98
Rot. Bonds3

About 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 678544) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID678544
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C16H16N2O2S/c17-14(19)13-11-8-4-5-9-12(11)21-16(13)18-15(20)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,19)(H,18,20)
InChIKeyZYIMILUMMMUVLQ-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 678544) is 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2.
What is the InChIKey of 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ZYIMILUMMMUVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-14(19)13-11-8-4-5-9-12(11)21-16(13)18-15(20)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,19)(H,18,20).
What are the key properties of 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 678544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).