2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide

C25H27ClN2O2S — CID 143624860

IUPAC2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CN(c2cccc(Cl)c2C)S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27ClN2O2S/c1-18-7-11-21(12-8-18)15-16-27-25(29)17-28(24-6-4-5-23(26)20(24)3)31(30)22-13-9-19(2)10-14-22/h4-14H,15-17H2,1-3H3,(H,27,29)
InChIKeyQJSJNVYBYQOBPD-UHFFFAOYSA-N
MW455.02 g/mol
LogP5.15
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide (PubChem CID 143624860) has the molecular formula C25H27ClN2O2S and a molecular weight of 455.02 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide
PubChem CID143624860
Molecular FormulaC25H27ClN2O2S
Molecular Weight455.02 g/mol
Exact Mass454.15
IUPAC Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CN(c2cccc(Cl)c2C)S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27ClN2O2S/c1-18-7-11-21(12-8-18)15-16-27-25(29)17-28(24-6-4-5-23(26)20(24)3)31(30)22-13-9-19(2)10-14-22/h4-14H,15-17H2,1-3H3,(H,27,29)
InChIKeyQJSJNVYBYQOBPD-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.02
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid
CID 143624782
4-[[[2-(3-chloro-2-methyl-N-[4-(trifluoromethyl)phenyl]sulfinylanilino)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 143624716
2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 143624755
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342896
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-nitrosophenyl)methyl]acetamide
CID 89196822
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide (CID 143624860) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)CN(c2cccc(Cl)c2C)S(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide?
The InChIKey is QJSJNVYBYQOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2S/c1-18-7-11-21(12-8-18)15-16-27-25(29)17-28(24-6-4-5-23(26)20(24)3)31(30)22-13-9-19(2)10-14-22/h4-14H,15-17H2,1-3H3,(H,27,29).
What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide?
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide has a molecular weight of 455.02 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 143624860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).