2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H15FN2O2S — CID 700253

IUPAC2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2
InChIInChI=1S/C16H15FN2O2S/c17-11-7-3-1-5-9(11)15(21)19-16-13(14(18)20)10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H2,18,20)(H,19,21)
InChIKeySYVZDLOWVOPYTP-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.12
Rot. Bonds3

About 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 700253) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID700253
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2
InChIInChI=1S/C16H15FN2O2S/c17-11-7-3-1-5-9(11)15(21)19-16-13(14(18)20)10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H2,18,20)(H,19,21)
InChIKeySYVZDLOWVOPYTP-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 700253) is 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is SYVZDLOWVOPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-11-7-3-1-5-9(11)15(21)19-16-13(14(18)20)10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 700253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).