2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide

C16H18N2O3S2 — CID 9314343

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12-2-4-13(5-3-12)10-22-11-16(19)18-14-6-8-15(9-7-14)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXEDHCYMNNNXRAY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.51
Rot. Bonds6

About 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 9314343) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID9314343
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12-2-4-13(5-3-12)10-22-11-16(19)18-14-6-8-15(9-7-14)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXEDHCYMNNNXRAY-UHFFFAOYSA-N
XLogP2.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309
2-[(4-methylphenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7922333
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
[2-(4-bromoanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773353
[2-(4-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 55310798
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 9314343) is 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(CSCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is XEDHCYMNNNXRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12-2-4-13(5-3-12)10-22-11-16(19)18-14-6-8-15(9-7-14)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9314343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).