N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C19H18N6O2S — CID 1277309

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21
InChIInChI=1S/C19H18N6O2S/c1-13(26)24-10-9-14-11-15(7-8-17(14)24)20-18(27)12-28-19-21-22-23-25(19)16-5-3-2-4-6-16/h2-8,11H,9-10,12H2,1H3,(H,20,27)
InChIKeyKTCRYKKKRZOGOO-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.30
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1277309) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1277309
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21
InChIInChI=1S/C19H18N6O2S/c1-13(26)24-10-9-14-11-15(7-8-17(14)24)20-18(27)12-28-19-21-22-23-25(19)16-5-3-2-4-6-16/h2-8,11H,9-10,12H2,1H3,(H,20,27)
InChIKeyKTCRYKKKRZOGOO-UHFFFAOYSA-N
XLogP2.30
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-Dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 861216
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3-Methoxypropyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3212981
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 648639
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(2,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-methyl-acetamide
CID 857583
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
1-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroquinoline
CID 1250302
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2086004
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1277309) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CC(=O)N1CCc2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KTCRYKKKRZOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-13(26)24-10-9-14-11-15(7-8-17(14)24)20-18(27)12-28-19-21-22-23-25(19)16-5-3-2-4-6-16/h2-8,11H,9-10,12H2,1H3,(H,20,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 394.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1277309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).