N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

C24H23ClN2O2S — CID 55334838

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H23ClN2O2S/c1-16-10-12-20(13-11-16)27-23(28)15-30-22-9-4-3-8-21(22)24(29)26-17(2)18-6-5-7-19(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyVQZQCXJGAOXYHM-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.87
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 55334838) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID55334838
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H23ClN2O2S/c1-16-10-12-20(13-11-16)27-23(28)15-30-22-9-4-3-8-21(22)24(29)26-17(2)18-6-5-7-19(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyVQZQCXJGAOXYHM-UHFFFAOYSA-N
XLogP5.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345939
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 55670018
N-[1-(3-chlorophenyl)ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 112759055
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
N-[1-(3-methoxyphenyl)propan-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 86941756
N-[1-(3,4-dichlorophenyl)ethyl]-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 42998506
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-pyridinyl)benzamide
CID 78794452
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
CID 112845760
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (CID 55334838) is N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is VQZQCXJGAOXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c1-16-10-12-20(13-11-16)27-23(28)15-30-22-9-4-3-8-21(22)24(29)26-17(2)18-6-5-7-19(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 438.98 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 55334838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).