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

C22H19ClN2O2S — CID 3192160

IUPACN-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H19ClN2O2S/c1-15-11-12-17(13-18(15)23)24-21(26)14-28-20-10-6-5-9-19(20)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeySDXLWWXBJXBQKQ-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.63
Rot. Bonds6

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

N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 3192160) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID3192160
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H19ClN2O2S/c1-15-11-12-17(13-18(15)23)24-21(26)14-28-20-10-6-5-9-19(20)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeySDXLWWXBJXBQKQ-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-(2-((dimethylamino)methyl)phenylthio)phenyl)-4-fluorobenzamide
CID 44580186
N-{3-[(2-chlorobenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 1164617
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285820
N-[4-[[benzyl(propyl)amino]methyl]-3,5-dichlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738514
N-[4-[[benzyl(propyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738516
N-[4-[[(2-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738542
N-[4-[[benzyl(cyclopropylmethyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738590
4-methyl-N-[2-(phenylthio)phenyl]benzamide
CID 970684
2-chloro-N-(2-methylphenyl)-5-(phenylsulfonyl)benzamide
CID 992292
4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide
CID 1243300
3-Chloro-N-{2-[(3-chloro-4-methyl-phenylcarbamoyl)-methylsulfanyl]-phenyl}-benzamide
CID 1434893

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 3192160) is N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is SDXLWWXBJXBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-15-11-12-17(13-18(15)23)24-21(26)14-28-20-10-6-5-9-19(20)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 3192160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).