2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C18H16ClN5OS — CID 2275014

IUPAC2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16ClN5OS/c19-14-5-2-6-16(10-14)24-18(21-22-23-24)26-11-17(25)20-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,20,25)
InChIKeyOPHMBQKEJZVBBK-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.54
Rot. Bonds5

About 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 2275014) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID2275014
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16ClN5OS/c19-14-5-2-6-16(10-14)24-18(21-22-23-24)26-11-17(25)20-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,20,25)
InChIKeyOPHMBQKEJZVBBK-UHFFFAOYSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 2275014) is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is OPHMBQKEJZVBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c19-14-5-2-6-16(10-14)24-18(21-22-23-24)26-11-17(25)20-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,20,25).
What are the key properties of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 385.88 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 2275014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).