N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C13H16N4O3S3 — CID 9114980

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C13H16N4O3S3/c1-9-4-5-10(23(19,20)17(2)3)6-11(9)15-12(18)7-21-13-16-14-8-22-13/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyBUSGEVSEUCHKFC-UHFFFAOYSA-N
MW372.50 g/mol
LogP1.83
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 9114980) has the molecular formula C13H16N4O3S3 and a molecular weight of 372.50 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID9114980
Molecular FormulaC13H16N4O3S3
Molecular Weight372.50 g/mol
Exact Mass372.04
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C13H16N4O3S3/c1-9-4-5-10(23(19,20)17(2)3)6-11(9)15-12(18)7-21-13-16-14-8-22-13/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyBUSGEVSEUCHKFC-UHFFFAOYSA-N
XLogP1.83
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3892108
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 5992919
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6074873
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4289124
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5114105
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532393
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4881259
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5033443
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4170377
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 4839084
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 17403392
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
CID 1610384

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 9114980) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncs1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is BUSGEVSEUCHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S3/c1-9-4-5-10(23(19,20)17(2)3)6-11(9)15-12(18)7-21-13-16-14-8-22-13/h4-6,8H,7H2,1-3H3,(H,15,18).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 372.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 9114980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).