N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

C19H20Cl2N2O2S — CID 24979118

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c1-13-3-5-14(6-4-13)11-26-12-19(25)23(2)10-18(24)22-15-7-8-16(20)17(21)9-15/h3-9H,10-12H2,1-2H3,(H,22,24)
InChIKeyZKLQVAAYDHJTCW-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.63
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (PubChem CID 24979118) has the molecular formula C19H20Cl2N2O2S and a molecular weight of 411.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
PubChem CID24979118
Molecular FormulaC19H20Cl2N2O2S
Molecular Weight411.35 g/mol
Exact Mass410.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c1-13-3-5-14(6-4-13)11-26-12-19(25)23(2)10-18(24)22-15-7-8-16(20)17(21)9-15/h3-9H,10-12H2,1-2H3,(H,22,24)
InChIKeyZKLQVAAYDHJTCW-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Elzasonan
CID 6914152
Elzasonan hydrochloride
CID 6506051
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 44561123
(S)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44561156
3-Benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
CID 2910124
(2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one
CID 6440590
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 2658134
N~1~-{2-[(4-chlorobenzyl)thio]ethyl}-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
CID 2975928
N-(2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}ethyl)-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CID 2977292
2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-chlorophenyl)piperazin-1-YL]ethan-1-one
CID 4119948
2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9493396
N-(2-{[(3-Chlorophenyl)methyl]sulfanyl}ethyl)-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CID 15991425

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (CID 24979118) is N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The InChIKey is ZKLQVAAYDHJTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S/c1-13-3-5-14(6-4-13)11-26-12-19(25)23(2)10-18(24)22-15-7-8-16(20)17(21)9-15/h3-9H,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide has a molecular weight of 411.35 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 24979118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).