3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide

C19H14Cl2N2O2S — CID 18376768

IUPAC3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c1-11-2-7-16(23-19(25)17-15(21)8-9-26-17)14(10-11)18(24)22-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyXNJFYYHKBBYRHS-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.87
Rot. Bonds4

About 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide

3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 18376768) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide
PubChem CID18376768
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14Cl2N2O2S/c1-11-2-7-16(23-19(25)17-15(21)8-9-26-17)14(10-11)18(24)22-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyXNJFYYHKBBYRHS-UHFFFAOYSA-N
XLogP5.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide (CID 18376768) is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is XNJFYYHKBBYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c1-11-2-7-16(23-19(25)17-15(21)8-9-26-17)14(10-11)18(24)22-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide?
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18376768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).