N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide

C22H18Cl2N2O2S — CID 18902448

IUPACN-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-16-10-8-15(9-11-16)12-21(27)25-17-4-3-5-18(13-17)29-14-22(28)26-20-7-2-1-6-19(20)24/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyGVROEKARYAPAHD-UHFFFAOYSA-N
MW445.37 g/mol
LogP5.91
Rot. Bonds7

About N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide

N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 18902448) has the molecular formula C22H18Cl2N2O2S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
PubChem CID18902448
Molecular FormulaC22H18Cl2N2O2S
Molecular Weight445.37 g/mol
Exact Mass444.05
IUPAC NameN-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O2S/c23-16-10-8-15(9-11-16)12-21(27)25-17-4-3-5-18(13-17)29-14-22(28)26-20-7-2-1-6-19(20)24/h1-11,13H,12,14H2,(H,25,27)(H,26,28)
InChIKeyGVROEKARYAPAHD-UHFFFAOYSA-N
XLogP5.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902486
2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902477
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902461
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-(2,4-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316337
2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18912663
2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide
CID 18899372
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
2-(4-chlorophenyl)-N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299488
2-[[3-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895629
4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897062

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide (CID 18902448) is N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is GVROEKARYAPAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2S/c23-16-10-8-15(9-11-16)12-21(27)25-17-4-3-5-18(13-17)29-14-22(28)26-20-7-2-1-6-19(20)24/h1-11,13H,12,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide?
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 445.37 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 18902448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).