N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C17H18N6O3S2 — CID 4107072

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N6O3S2/c1-22(2)28(25,26)15-10-6-7-13(11-15)18-16(24)12-27-17-19-20-21-23(17)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,24)
InChIKeyAPTNHOIWKIMVJU-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.64
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4107072) has the molecular formula C17H18N6O3S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID4107072
Molecular FormulaC17H18N6O3S2
Molecular Weight418.50 g/mol
Exact Mass418.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N6O3S2/c1-22(2)28(25,26)15-10-6-7-13(11-15)18-16(24)12-27-17-19-20-21-23(17)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,24)
InChIKeyAPTNHOIWKIMVJU-UHFFFAOYSA-N
XLogP1.64
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-(2-methyl-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11640879
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654320
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455267
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3451317
2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 3946151
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4348659
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4878909

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 4107072) is N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is APTNHOIWKIMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S2/c1-22(2)28(25,26)15-10-6-7-13(11-15)18-16(24)12-27-17-19-20-21-23(17)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,24).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 418.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4107072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).