3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide

C19H21N5OS — CID 51124121

IUPAC3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCc1ccc(-n2nnnc2SCc2cccc(C(=O)N(C)C)c2)c(C)c1
InChIInChI=1S/C19H21N5OS/c1-13-8-9-17(14(2)10-13)24-19(20-21-22-24)26-12-15-6-5-7-16(11-15)18(25)23(3)4/h5-11H,12H2,1-4H3
InChIKeyXBLCDERSNJGKNK-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.27
Rot. Bonds5

About 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide

3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide (PubChem CID 51124121) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
PubChem CID51124121
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCc1ccc(-n2nnnc2SCc2cccc(C(=O)N(C)C)c2)c(C)c1
InChIInChI=1S/C19H21N5OS/c1-13-8-9-17(14(2)10-13)24-19(20-21-22-24)26-12-15-6-5-7-16(11-15)18(25)23(3)4/h5-11H,12H2,1-4H3
InChIKeyXBLCDERSNJGKNK-UHFFFAOYSA-N
XLogP3.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 47068537
3-[[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
CID 1291544
1-(2,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 977337
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
N-(2-benzylsulfanylethyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7886326
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691769
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 7674233
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 8691768
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide (CID 51124121) is 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide is Cc1ccc(-n2nnnc2SCc2cccc(C(=O)N(C)C)c2)c(C)c1.
What is the InChIKey of 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The InChIKey is XBLCDERSNJGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-8-9-17(14(2)10-13)24-19(20-21-22-24)26-12-15-6-5-7-16(11-15)18(25)23(3)4/h5-11H,12H2,1-4H3.
What are the key properties of 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide has a molecular weight of 367.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 51124121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).