2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide

C18H13ClN2O2S — CID 10291815

IUPAC2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O2S/c19-13-8-6-12(7-9-13)17(23)21-18-14(16(20)22)10-15(24-18)11-4-2-1-3-5-11/h1-10H,(H2,20,22)(H,21,23)
InChIKeyKKZSYPOYYONUJB-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.42
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide

2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 10291815) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID10291815
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC Name2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O2S/c19-13-8-6-12(7-9-13)17(23)21-18-14(16(20)22)10-15(24-18)11-4-2-1-3-5-11/h1-10H,(H2,20,22)(H,21,23)
InChIKeyKKZSYPOYYONUJB-UHFFFAOYSA-N
XLogP4.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 10291815) is 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is KKZSYPOYYONUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c19-13-8-6-12(7-9-13)17(23)21-18-14(16(20)22)10-15(24-18)11-4-2-1-3-5-11/h1-10H,(H2,20,22)(H,21,23).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 10291815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).