N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide

C20H21N7O4S2 — CID 43055840

IUPACN-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1
InChIInChI=1S/C20H21N7O4S2/c1-12-8-14-9-17(33(21,30)31)6-7-18(14)26(12)19(29)11-32-20-23-24-25-27(20)16-5-3-4-15(10-16)22-13(2)28/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,28)(H2,21,30,31)
InChIKeyCUWWHQQTVRNNJQ-UHFFFAOYSA-N
MW487.57 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide

N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide (PubChem CID 43055840) has the molecular formula C20H21N7O4S2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
PubChem CID43055840
Molecular FormulaC20H21N7O4S2
Molecular Weight487.57 g/mol
Exact Mass487.11
IUPAC NameN-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1
InChIInChI=1S/C20H21N7O4S2/c1-12-8-14-9-17(33(21,30)31)6-7-18(14)26(12)19(29)11-32-20-23-24-25-27(20)16-5-3-4-15(10-16)22-13(2)28/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,28)(H2,21,30,31)
InChIKeyCUWWHQQTVRNNJQ-UHFFFAOYSA-N
XLogP1.34
TPSA153.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
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CID 4809640
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CID 25349108
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46572572
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CID 46574390
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3-[5-[2-(benzenesulfonyl)ethylsulfanyl]tetrazol-1-yl]-N-prop-1-en-2-ylaniline
CID 18344480
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
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N-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide (CID 43055840) is N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1.
What is the InChIKey of N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The InChIKey is CUWWHQQTVRNNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4S2/c1-12-8-14-9-17(33(21,30)31)6-7-18(14)26(12)19(29)11-32-20-23-24-25-27(20)16-5-3-4-15(10-16)22-13(2)28/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,28)(H2,21,30,31).
What are the key properties of N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide has a molecular weight of 487.57 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 43055840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).