2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide

C12H14ClN5OS — CID 6491281

IUPAC2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN5OS/c1-8(2)14-11(19)7-20-12-15-16-17-18(12)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,14,19)
InChIKeyUAPBWXDQBMQUBE-UHFFFAOYSA-N
MW311.80 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide

2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 6491281) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID6491281
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN5OS/c1-8(2)14-11(19)7-20-12-15-16-17-18(12)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,14,19)
InChIKeyUAPBWXDQBMQUBE-UHFFFAOYSA-N
XLogP1.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide (CID 6491281) is 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnnn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is UAPBWXDQBMQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-8(2)14-11(19)7-20-12-15-16-17-18(12)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,14,19).
What are the key properties of 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide?
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 311.80 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 6491281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).