N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide

C22H25N3O4S — CID 43033841

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C22H25N3O4S/c1-4-29-17-8-10-18(11-9-17)30-15-21(26)24-20-12-13-23-25(20)14-16-6-5-7-19(27-2)22(16)28-3/h5-13H,4,14-15H2,1-3H3,(H,24,26)
InChIKeyDPKDKWYDKYEICG-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.08
Rot. Bonds10

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 43033841) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID43033841
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C22H25N3O4S/c1-4-29-17-8-10-18(11-9-17)30-15-21(26)24-20-12-13-23-25(20)14-16-6-5-7-19(27-2)22(16)28-3/h5-13H,4,14-15H2,1-3H3,(H,24,26)
InChIKeyDPKDKWYDKYEICG-UHFFFAOYSA-N
XLogP4.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43048446
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide (CID 43033841) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is DPKDKWYDKYEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-4-29-17-8-10-18(11-9-17)30-15-21(26)24-20-12-13-23-25(20)14-16-6-5-7-19(27-2)22(16)28-3/h5-13H,4,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 427.53 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 43033841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).