3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide

C22H13Cl3N2O2S — CID 10073666

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
InChIKeyBPVWZPRUIFGZGN-UHFFFAOYSA-N
MW475.78 g/mol
LogP7.37
Rot. Bonds4

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 10073666) has the molecular formula C22H13Cl3N2O2S and a molecular weight of 475.78 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID10073666
Molecular FormulaC22H13Cl3N2O2S
Molecular Weight475.78 g/mol
Exact Mass473.98
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
InChIKeyBPVWZPRUIFGZGN-UHFFFAOYSA-N
XLogP7.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.78
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide (CID 10073666) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BPVWZPRUIFGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 475.78 g/mol, XLogP of 7.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 10073666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).