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

C18H18N2O3S — CID 3392650

IUPAC2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1
InChIInChI=1S/C18H18N2O3S/c1-10(21)11-6-8-12(9-7-11)17(23)20-18-15(16(19)22)13-4-2-3-5-14(13)24-18/h6-9H,2-5H2,1H3,(H2,19,22)(H,20,23)
InChIKeyPDUIWVYZQOPZET-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.18
Rot. Bonds4

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

2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3392650) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3392650
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1
InChIInChI=1S/C18H18N2O3S/c1-10(21)11-6-8-12(9-7-11)17(23)20-18-15(16(19)22)13-4-2-3-5-14(13)24-18/h6-9H,2-5H2,1H3,(H2,19,22)(H,20,23)
InChIKeyPDUIWVYZQOPZET-UHFFFAOYSA-N
XLogP3.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3392650) is 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1.
What is the InChIKey of 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is PDUIWVYZQOPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10(21)11-6-8-12(9-7-11)17(23)20-18-15(16(19)22)13-4-2-3-5-14(13)24-18/h6-9H,2-5H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3392650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).