3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide

C23H15Cl3N2O3S — CID 18376970

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyGZUZWPNOXCTYDQ-UHFFFAOYSA-N
MW505.81 g/mol
LogP7.37
Rot. Bonds5

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide (PubChem CID 18376970) has the molecular formula C23H15Cl3N2O3S and a molecular weight of 505.81 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
PubChem CID18376970
Molecular FormulaC23H15Cl3N2O3S
Molecular Weight505.81 g/mol
Exact Mass503.99
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyGZUZWPNOXCTYDQ-UHFFFAOYSA-N
XLogP7.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.81
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl}-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 16731819
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376598
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376730
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 18376782
3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376848
Ethyl 2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-[(4-chlorophenyl)carbamoyl]phenoxy]acetate
CID 18376881
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376897
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18377031
3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 15988646
3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 980362
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-[(4-methoxyphenyl)methoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 44364946
3-chloro-N-[2-[(4-ethoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 44365103

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide (CID 18376970) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide is COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GZUZWPNOXCTYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O3S/c1-31-17-11-13(25)10-16(22(29)27-14-8-6-12(24)7-9-14)20(17)28-23(30)21-19(26)15-4-2-3-5-18(15)32-21/h2-11H,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 505.81 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).