N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

C18H22N2O3S2 — CID 35064694

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N2O3S2/c1-12(2)14-5-8-16(9-6-14)24-11-18(21)20-15-7-4-13(3)17(10-15)25(19,22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyCTNUQVGAHVKSGK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.50
Rot. Bonds6

About N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (PubChem CID 35064694) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
PubChem CID35064694
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N2O3S2/c1-12(2)14-5-8-16(9-6-14)24-11-18(21)20-15-7-4-13(3)17(10-15)25(19,22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyCTNUQVGAHVKSGK-UHFFFAOYSA-N
XLogP3.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062879
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9107095
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587170
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (CID 35064694) is N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(C(C)C)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The InChIKey is CTNUQVGAHVKSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12(2)14-5-8-16(9-6-14)24-11-18(21)20-15-7-4-13(3)17(10-15)25(19,22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide is sourced from PubChem (CID 35064694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).