2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C15H16N2O3S2 — CID 977816

IUPAC2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11-2-6-13(7-3-11)21-10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyQVNZQPBVVWYUKM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.37
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 977816) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID977816
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11-2-6-13(7-3-11)21-10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyQVNZQPBVVWYUKM-UHFFFAOYSA-N
XLogP2.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 977816) is 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is QVNZQPBVVWYUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-11-2-6-13(7-3-11)21-10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 977816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).