2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

C15H19N5O3S2 — CID 3960609

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H19N5O3S2/c1-10-3-4-13(11(2)7-10)20-15(17-18-19-20)24-8-14(21)16-12-5-6-25(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,21)
InChIKeyVMFDCXFCVWBBCJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.67
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 3960609) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID3960609
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H19N5O3S2/c1-10-3-4-13(11(2)7-10)20-15(17-18-19-20)24-8-14(21)16-12-5-6-25(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,21)
InChIKeyVMFDCXFCVWBBCJ-UHFFFAOYSA-N
XLogP0.67
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821
2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4317885
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4798848
N-(1,1-dioxothiolan-3-yl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 5037437
N-(2-methyl-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11640879
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 12006235
N-cyclopropyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096583
N-cyclopropyl-2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 7661441
N-cyclopropyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713598

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 3960609) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)NC2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VMFDCXFCVWBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-10-3-4-13(11(2)7-10)20-15(17-18-19-20)24-8-14(21)16-12-5-6-25(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,21).
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 3960609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).