4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

C18H18N6O2S — CID 3626261

IUPAC4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H18N6O2S/c1-11-3-8-15(12(2)9-11)24-18(21-22-23-24)27-10-16(25)20-14-6-4-13(5-7-14)17(19)26/h3-9H,10H2,1-2H3,(H2,19,26)(H,20,25)
InChIKeyRAYCDHSAVKKFDX-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.11
Rot. Bonds6

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

4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (PubChem CID 3626261) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
PubChem CID3626261
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H18N6O2S/c1-11-3-8-15(12(2)9-11)24-18(21-22-23-24)27-10-16(25)20-14-6-4-13(5-7-14)17(19)26/h3-9H,10H2,1-2H3,(H2,19,26)(H,20,25)
InChIKeyRAYCDHSAVKKFDX-UHFFFAOYSA-N
XLogP2.11
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.11
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
3-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691769
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7225097
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16509717
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3504562
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 2485744
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 16509696
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 5275186
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16509656

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (CID 3626261) is 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is RAYCDHSAVKKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-11-3-8-15(12(2)9-11)24-18(21-22-23-24)27-10-16(25)20-14-6-4-13(5-7-14)17(19)26/h3-9H,10H2,1-2H3,(H2,19,26)(H,20,25).
What are the key properties of 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 382.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 3626261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).