N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide

C22H17Cl2NO2S — CID 22779188

IUPACN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C22H17Cl2NO2S/c1-14-2-4-15(5-3-14)22(27)25-17-7-9-18(10-8-17)28-13-21(26)16-6-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyFKALQSHGVSWYCP-UHFFFAOYSA-N
MW430.36 g/mol
LogP6.53
Rot. Bonds6

About N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide (PubChem CID 22779188) has the molecular formula C22H17Cl2NO2S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
PubChem CID22779188
Molecular FormulaC22H17Cl2NO2S
Molecular Weight430.36 g/mol
Exact Mass429.04
IUPAC NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C22H17Cl2NO2S/c1-14-2-4-15(5-3-14)22(27)25-17-7-9-18(10-8-17)28-13-21(26)16-6-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyFKALQSHGVSWYCP-UHFFFAOYSA-N
XLogP6.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23095508
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
(E)-4-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784722
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
N-[3-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 19299663
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N-[(Z)-3-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783396
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide (CID 22779188) is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The InChIKey is FKALQSHGVSWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2S/c1-14-2-4-15(5-3-14)22(27)25-17-7-9-18(10-8-17)28-13-21(26)16-6-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide has a molecular weight of 430.36 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide is sourced from PubChem (CID 22779188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).