2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H21N7O4S2 — CID 55571943

IUPAC2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H21N7O4S2/c1-13(27)22-15-3-2-4-16(11-15)26-19(23-24-25-26)31-12-18(28)21-10-9-14-5-7-17(8-6-14)32(20,29)30/h2-8,11H,9-10,12H2,1H3,(H,21,28)(H,22,27)(H2,20,29,30)
InChIKeyGWBUBNGCLXPFSQ-UHFFFAOYSA-N
MW475.56 g/mol
LogP0.72
Rot. Bonds9

About 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55571943) has the molecular formula C19H21N7O4S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55571943
Molecular FormulaC19H21N7O4S2
Molecular Weight475.56 g/mol
Exact Mass475.11
IUPAC Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H21N7O4S2/c1-13(27)22-15-3-2-4-16(11-15)26-19(23-24-25-26)31-12-18(28)21-10-9-14-5-7-17(8-6-14)32(20,29)30/h2-8,11H,9-10,12H2,1H3,(H,21,28)(H,22,27)(H2,20,29,30)
InChIKeyGWBUBNGCLXPFSQ-UHFFFAOYSA-N
XLogP0.72
TPSA161.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 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

2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46572572
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 42067738
N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 43055840
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55571388
N-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 39074837
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
CID 55609222
3-[5-[2-(benzenesulfonyl)ethylsulfanyl]tetrazol-1-yl]-N-prop-1-en-2-ylaniline
CID 18344480

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 55571943) is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GWBUBNGCLXPFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S2/c1-13(27)22-15-3-2-4-16(11-15)26-19(23-24-25-26)31-12-18(28)21-10-9-14-5-7-17(8-6-14)32(20,29)30/h2-8,11H,9-10,12H2,1H3,(H,21,28)(H,22,27)(H2,20,29,30).
What are the key properties of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 475.56 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55571943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).