3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide

C19H20N6O2S — CID 8691769

IUPAC3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C19H20N6O2S/c1-12-7-8-16(13(2)9-12)25-19(22-23-24-25)28-11-17(26)21-15-6-4-5-14(10-15)18(27)20-3/h4-10H,11H2,1-3H3,(H,20,27)(H,21,26)
InChIKeyPORBDOXKCYCOOK-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.37
Rot. Bonds6

About 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide

3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 8691769) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID8691769
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C19H20N6O2S/c1-12-7-8-16(13(2)9-12)25-19(22-23-24-25)28-11-17(26)21-15-6-4-5-14(10-15)18(27)20-3/h4-10H,11H2,1-3H3,(H,20,27)(H,21,26)
InChIKeyPORBDOXKCYCOOK-UHFFFAOYSA-N
XLogP2.37
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691758
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16509717
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 3626261
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 2485744
3-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8793113
N-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 8686229
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
1-(3-bromophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7674908
3-[[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
CID 1291544
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7225097

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide (CID 8691769) is 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)c1.
What is the InChIKey of 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is PORBDOXKCYCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-7-8-16(13(2)9-12)25-19(22-23-24-25)28-11-17(26)21-15-6-4-5-14(10-15)18(27)20-3/h4-10H,11H2,1-3H3,(H,20,27)(H,21,26).
What are the key properties of 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide?
3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 396.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8691769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).