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

C23H25N7O3S — CID 67094491

IUPACN-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)c(OC)c1
InChIInChI=1S/C23H25N7O3S/c1-15-6-5-7-19(16(15)2)30-23(26-27-28-30)34-14-22(31)25-21-10-11-24-29(21)13-17-8-9-18(32-3)12-20(17)33-4/h5-12H,13-14H2,1-4H3,(H,25,31)
InChIKeyGRLMIZVALLFAFZ-UHFFFAOYSA-N
MW479.57 g/mol
LogP3.27
Rot. Bonds9

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

N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 67094491) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID67094491
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC NameN-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)c(OC)c1
InChIInChI=1S/C23H25N7O3S/c1-15-6-5-7-19(16(15)2)30-23(26-27-28-30)34-14-22(31)25-21-10-11-24-29(21)13-17-8-9-18(32-3)12-20(17)33-4/h5-12H,13-14H2,1-4H3,(H,25,31)
InChIKeyGRLMIZVALLFAFZ-UHFFFAOYSA-N
XLogP3.27
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]acetamide
CID 44546083
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 44546341
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide
CID 44546085
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 55402478
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 44546272
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 1175477
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26644049
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-(2,4-dimethoxyphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175422
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 67094491) is N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)c(OC)c1.
What is the InChIKey of N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is GRLMIZVALLFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-15-6-5-7-19(16(15)2)30-23(26-27-28-30)34-14-22(31)25-21-10-11-24-29(21)13-17-8-9-18(32-3)12-20(17)33-4/h5-12H,13-14H2,1-4H3,(H,25,31).
What are the key properties of N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 479.57 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 67094491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).