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

C22H17Cl2NO2S — CID 19299752

IUPACN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCC(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO2S/c1-14-4-2-5-15(10-14)22(27)25-17-6-3-7-18(12-17)28-13-21(26)19-9-8-16(23)11-20(19)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyQWYUQSACVABZGO-UHFFFAOYSA-N
MW430.36 g/mol
LogP6.53
Rot. Bonds6

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

N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide (PubChem CID 19299752) has the molecular formula C22H17Cl2NO2S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
PubChem CID19299752
Molecular FormulaC22H17Cl2NO2S
Molecular Weight430.36 g/mol
Exact Mass429.04
IUPAC NameN-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCC(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO2S/c1-14-4-2-5-15(10-14)22(27)25-17-6-3-7-18(12-17)28-13-21(26)19-9-8-16(23)11-20(19)24/h2-12H,13H2,1H3,(H,25,27)
InChIKeyQWYUQSACVABZGO-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

N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299824
N-[(Z)-3-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301625
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
(E)-N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 19299446
N-[(Z)-1-(4-chlorophenyl)-3-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19301139
2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902162
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
3-chloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18904756
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide (CID 19299752) is N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(SCC(=O)c3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide?
The InChIKey is QWYUQSACVABZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2S/c1-14-4-2-5-15(10-14)22(27)25-17-6-3-7-18(12-17)28-13-21(26)19-9-8-16(23)11-20(19)24/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide?
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-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-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide is sourced from PubChem (CID 19299752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).