2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C23H29ClN2O2S — CID 143624883

IUPAC2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(SC2CCCCC2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C23H29ClN2O2S/c1-17-21(24)9-6-10-22(17)26(29-20-7-4-3-5-8-20)16-23(27)25-15-18-11-13-19(28-2)14-12-18/h6,9-14,20H,3-5,7-8,15-16H2,1-2H3,(H,25,27)
InChIKeyGYGZJRMNQJAJNH-UHFFFAOYSA-N
MW433.02 g/mol
LogP5.76
Rot. Bonds8

About 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 143624883) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID143624883
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(SC2CCCCC2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C23H29ClN2O2S/c1-17-21(24)9-6-10-22(17)26(29-20-7-4-3-5-8-20)16-23(27)25-15-18-11-13-19(28-2)14-12-18/h6,9-14,20H,3-5,7-8,15-16H2,1-2H3,(H,25,27)
InChIKeyGYGZJRMNQJAJNH-UHFFFAOYSA-N
XLogP5.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.02
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 143624755
2-(3-chloro-2-methyl-N-(3-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 58009542
2-(3-chloro-2-methyl-N-(4-pyridin-4-yloxyphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 58009726
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9265502
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634112
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
(2R)-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125056162
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113164980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 143624883) is 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(SC2CCCCC2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is GYGZJRMNQJAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-17-21(24)9-6-10-22(17)26(29-20-7-4-3-5-8-20)16-23(27)25-15-18-11-13-19(28-2)14-12-18/h6,9-14,20H,3-5,7-8,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 433.02 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-cyclohexylsulfanyl-2-methylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 143624883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).