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

C22H14Cl2N2O2S — CID 18377033

IUPAC3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H14Cl2N2O2S/c23-13-9-11-14(12-10-13)25-21(27)15-5-1-3-7-17(15)26-22(28)20-19(24)16-6-2-4-8-18(16)29-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyWWQHAWQGPLJNQO-UHFFFAOYSA-N
MW441.34 g/mol
LogP6.71
Rot. Bonds4

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

3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 18377033) has the molecular formula C22H14Cl2N2O2S and a molecular weight of 441.34 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID18377033
Molecular FormulaC22H14Cl2N2O2S
Molecular Weight441.34 g/mol
Exact Mass440.02
IUPAC Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H14Cl2N2O2S/c23-13-9-11-14(12-10-13)25-21(27)15-5-1-3-7-17(15)26-22(28)20-19(24)16-6-2-4-8-18(16)29-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyWWQHAWQGPLJNQO-UHFFFAOYSA-N
XLogP6.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfinylmethyl)thiophene-2-carboxamide
CID 10028986
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide
CID 10073666
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-[[(4-chlorophenyl)amino]carbonyl]-4-methylphenyl]-
CID 10411684
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(dimethylamino)propyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376642
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(methylsulfanyl)methyl]thiophene-2-carboxamide
CID 18376839
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-6-methyl-1-benzothiophene-2-carboxamide
CID 18376901
N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3-methyl-1-benzothiophene-2-carboxamide
CID 18377048
3-chloro-N-(2-((4-fluorophenyl)carbamoyl)-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 2796875
N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
CID 10481025
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376605
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376625
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376656

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide (CID 18377033) is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is WWQHAWQGPLJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2S/c23-13-9-11-14(12-10-13)25-21(27)15-5-1-3-7-17(15)26-22(28)20-19(24)16-6-2-4-8-18(16)29-20/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 441.34 g/mol, XLogP of 6.71, 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]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18377033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).