N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C14H17N5OS — CID 2823496

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H17N5OS/c1-2-19-14(16-17-18-19)21-9-13(20)15-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,15,20)
InChIKeyNLZVOCBBGWPUJX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.07
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2823496) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID2823496
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H17N5OS/c1-2-19-14(16-17-18-19)21-9-13(20)15-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,15,20)
InChIKeyNLZVOCBBGWPUJX-UHFFFAOYSA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 644440
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 652875
N-Benzyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1076019
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 1383745
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
CID 1508512
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 2999176
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 3212968

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 2823496) is N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is NLZVOCBBGWPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-19-14(16-17-18-19)21-9-13(20)15-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,15,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 303.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2823496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).