N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

C14H18N4O2S — CID 62410099

IUPACN-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1cc(C)nn1C
InChIInChI=1S/C14H18N4O2S/c1-9-6-14(18(2)17-9)21-8-13(19)16-11-7-10(15)4-5-12(11)20-3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeySGOIFPVXFSRPMW-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.05
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (PubChem CID 62410099) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
PubChem CID62410099
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCOc1ccc(N)cc1NC(=O)CSc1cc(C)nn1C
InChIInChI=1S/C14H18N4O2S/c1-9-6-14(18(2)17-9)21-8-13(19)16-11-7-10(15)4-5-12(11)20-3/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeySGOIFPVXFSRPMW-UHFFFAOYSA-N
XLogP2.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
N-(5-amino-2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60876752
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62408208
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840
N-(5-amino-2-methoxyphenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351959
N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61218167
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60876936
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35395858

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (CID 62410099) is N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is COc1ccc(N)cc1NC(=O)CSc1cc(C)nn1C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The InChIKey is SGOIFPVXFSRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-6-14(18(2)17-9)21-8-13(19)16-11-7-10(15)4-5-12(11)20-3/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide has a molecular weight of 306.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is sourced from PubChem (CID 62410099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).