2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide

C18H22N2O3S2 — CID 38351202

IUPAC2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-12-19-25(22,23)16-10-8-15(9-11-16)20-18(21)13-24-17-7-5-4-6-14(17)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyNXNPDHSXDDNNON-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.41
Rot. Bonds8

About 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide (PubChem CID 38351202) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
PubChem CID38351202
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-12-19-25(22,23)16-10-8-15(9-11-16)20-18(21)13-24-17-7-5-4-6-14(17)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyNXNPDHSXDDNNON-UHFFFAOYSA-N
XLogP3.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide (CID 38351202) is 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide?
The InChIKey is NXNPDHSXDDNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-12-19-25(22,23)16-10-8-15(9-11-16)20-18(21)13-24-17-7-5-4-6-14(17)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 38351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).