2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide

C15H21N5OS — CID 858457

IUPAC2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnnn1-c1cc(C)cc(C)c1
InChIInChI=1S/C15H21N5OS/c1-5-19(6-2)14(21)10-22-15-16-17-18-20(15)13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3
InChIKeyGIIIEXWPVNRVQZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.24
Rot. Bonds6

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

2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide (PubChem CID 858457) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
PubChem CID858457
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnnn1-c1cc(C)cc(C)c1
InChIInChI=1S/C15H21N5OS/c1-5-19(6-2)14(21)10-22-15-16-17-18-20(15)13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3
InChIKeyGIIIEXWPVNRVQZ-UHFFFAOYSA-N
XLogP2.24
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 5022235
ethyl 4-[2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 8827404
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 8828799
N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793085
N-(2,3-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8805931
N-ethyl-N-(4-fluorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684606
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8860215
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084745
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 8828652
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9073543

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide (CID 858457) is 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnnn1-c1cc(C)cc(C)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide?
The InChIKey is GIIIEXWPVNRVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-5-19(6-2)14(21)10-22-15-16-17-18-20(15)13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide?
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 858457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).