3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C22H18Cl2N2O2S — CID 22781799

IUPAC3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14-5-6-17(24)12-20(14)26-21(27)13-29-19-9-7-18(8-10-19)25-22(28)15-3-2-4-16(23)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyQMWWCROYWLLNBE-UHFFFAOYSA-N
MW445.37 g/mol
LogP6.28
Rot. Bonds6

About 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 22781799) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID22781799
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC Name3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O2S/c1-14-5-6-17(24)12-20(14)26-21(27)13-29-19-9-7-18(8-10-19)25-22(28)15-3-2-4-16(23)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyQMWWCROYWLLNBE-UHFFFAOYSA-N
XLogP6.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 23099959
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23096856
3-chloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18904756
N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22776748
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22775886
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
N-[(Z)-1-(2-chloro-6-fluorophenyl)-3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21383788
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 22781799) is 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccc(Cl)cc1NC(=O)CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is QMWWCROYWLLNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c1-14-5-6-17(24)12-20(14)26-21(27)13-29-19-9-7-18(8-10-19)25-22(28)15-3-2-4-16(23)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 445.37 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22781799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).