N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

C17H16Cl2N2O2S — CID 7732087

IUPACN-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11-3-2-4-13(7-11)20-16(22)9-24-10-17(23)21-15-6-5-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIHOQTQBWCRHAPQ-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.61
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 7732087) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID7732087
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11-3-2-4-13(7-11)20-16(22)9-24-10-17(23)21-15-6-5-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIHOQTQBWCRHAPQ-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
N-(2,3-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51158819
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
[2-(3-chloroanilino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684346
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide
CID 3928113
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 7732087) is N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is IHOQTQBWCRHAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11-3-2-4-13(7-11)20-16(22)9-24-10-17(23)21-15-6-5-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 383.30 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 7732087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).