2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide

C19H21Cl2NO2S — CID 1488229

IUPAC2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(CS(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2S/c1-19(2,3)14-6-4-13(5-7-14)11-25(24)12-18(23)22-17-9-8-15(20)10-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyIAYPTUFNWGMXLC-UHFFFAOYSA-N
MW398.36 g/mol
LogP5.18
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide

2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 1488229) has the molecular formula C19H21Cl2NO2S and a molecular weight of 398.36 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID1488229
Molecular FormulaC19H21Cl2NO2S
Molecular Weight398.36 g/mol
Exact Mass397.07
IUPAC Name2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(CS(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2S/c1-19(2,3)14-6-4-13(5-7-14)11-25(24)12-18(23)22-17-9-8-15(20)10-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyIAYPTUFNWGMXLC-UHFFFAOYSA-N
XLogP5.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106737
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
CID 5102061
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
1-tert-butyl-4-[[(S)-(4-chlorophenyl)methylsulfinyl]methyl]benzene
CID 52513153
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 2-[(2-benzylsulfinylacetyl)amino]-4-chlorobenzoate
CID 22364770
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide (CID 1488229) is 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide is CC(C)(C)c1ccc(CS(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is IAYPTUFNWGMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2S/c1-19(2,3)14-6-4-13(5-7-14)11-25(24)12-18(23)22-17-9-8-15(20)10-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide?
2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 398.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1488229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).