2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide

C16H16N6O3S2 — CID 4837816

IUPAC2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H16N6O3S2/c1-11-4-2-6-13(8-11)22-16(19-20-21-22)26-10-15(23)18-12-5-3-7-14(9-12)27(17,24)25/h2-9H,10H2,1H3,(H,18,23)(H2,17,24,25)
InChIKeyRIALCHYHYXQSJX-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.35
Rot. Bonds6

About 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4837816) has the molecular formula C16H16N6O3S2 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID4837816
Molecular FormulaC16H16N6O3S2
Molecular Weight404.48 g/mol
Exact Mass404.07
IUPAC Name2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H16N6O3S2/c1-11-4-2-6-13(8-11)22-16(19-20-21-22)26-10-15(23)18-12-5-3-7-14(9-12)27(17,24)25/h2-9H,10H2,1H3,(H,18,23)(H2,17,24,25)
InChIKeyRIALCHYHYXQSJX-UHFFFAOYSA-N
XLogP1.35
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-(2-methylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1294921
4-Methyl-N-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-benzenesulfonamide
CID 1610590
N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-4-methylbenzenesulfonamide
CID 1814758
N-(2,5-dimethylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 2211422
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4348659
2-[[5-[(3-Methylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 4695527
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5165692
N-(2-methyl-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11640879
N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide
CID 1078044
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4289124

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 4837816) is 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is RIALCHYHYXQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S2/c1-11-4-2-6-13(8-11)22-16(19-20-21-22)26-10-15(23)18-12-5-3-7-14(9-12)27(17,24)25/h2-9H,10H2,1H3,(H,18,23)(H2,17,24,25).
What are the key properties of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 404.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4837816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).