N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C20H22N6O2S — CID 27241030

IUPACN-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C20H22N6O2S/c1-12-8-9-17(14(3)10-12)26-20(23-24-25-26)29-11-18(27)22-19(28)21-16-7-5-6-13(2)15(16)4/h5-10H,11H2,1-4H3,(H2,21,22,27,28)
InChIKeyLWRFPEHPKQBFJM-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.34
Rot. Bonds5

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

N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 27241030) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID27241030
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C20H22N6O2S/c1-12-8-9-17(14(3)10-12)26-20(23-24-25-26)29-11-18(27)22-19(28)21-16-7-5-6-13(2)15(16)4/h5-10H,11H2,1-4H3,(H2,21,22,27,28)
InChIKeyLWRFPEHPKQBFJM-UHFFFAOYSA-N
XLogP3.34
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8805931
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-methylsulfanylphenyl)acetamide
CID 16509717
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26644049
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-(2,4,6-trichlorophenyl)acetamide
CID 16509696
N'-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 2485464
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-(3-nitrophenyl)acetamide
CID 2485744
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7674000
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691758

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 27241030) is N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2cccc(C)c2C)c(C)c1.
What is the InChIKey of N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LWRFPEHPKQBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-12-8-9-17(14(3)10-12)26-20(23-24-25-26)29-11-18(27)22-19(28)21-16-7-5-6-13(2)15(16)4/h5-10H,11H2,1-4H3,(H2,21,22,27,28).
What are the key properties of N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 410.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 27241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).