N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H19N5O2S — CID 9150724

IUPACN-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C19H19N5O2S/c1-12-6-4-9-17(13(12)2)24-19(21-22-23-24)27-11-18(26)20-16-8-5-7-15(10-16)14(3)25/h4-10H,11H2,1-3H3,(H,20,26)
InChIKeyAOSHNMSQGKTRBB-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.21
Rot. Bonds6

About N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 9150724) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID9150724
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C19H19N5O2S/c1-12-6-4-9-17(13(12)2)24-19(21-22-23-24)27-11-18(26)20-16-8-5-7-15(10-16)14(3)25/h4-10H,11H2,1-3H3,(H,20,26)
InChIKeyAOSHNMSQGKTRBB-UHFFFAOYSA-N
XLogP3.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46812114
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26643443
N-(4-acetylphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7660835
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691769
N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647313
N-(3-acetylphenyl)-2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 1175687
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide
CID 8799549

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 9150724) is N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is AOSHNMSQGKTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-6-4-9-17(13(12)2)24-19(21-22-23-24)27-11-18(26)20-16-8-5-7-15(10-16)14(3)25/h4-10H,11H2,1-3H3,(H,20,26).
What are the key properties of N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 381.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 9150724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).