N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide

C20H26N2O3S2 — CID 35062879

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O3S2/c1-14(2)16-7-10-18(11-8-16)26-13-20(23)21-17-9-6-15(3)19(12-17)27(24,25)22(4)5/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyWFWLUMYNZQJMAF-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.10
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide (PubChem CID 35062879) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
PubChem CID35062879
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O3S2/c1-14(2)16-7-10-18(11-8-16)26-13-20(23)21-17-9-6-15(3)19(12-17)27(24,25)22(4)5/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyWFWLUMYNZQJMAF-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 16524191
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 24631033
(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 40843057
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-hydroxyacetamide
CID 154862984
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
CID 26438400
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide (CID 35062879) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The InChIKey is WFWLUMYNZQJMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-14(2)16-7-10-18(11-8-16)26-13-20(23)21-17-9-6-15(3)19(12-17)27(24,25)22(4)5/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide has a molecular weight of 406.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide is sourced from PubChem (CID 35062879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).