N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C13H16N4O4S2 — CID 4879500

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H16N4O4S2/c1-17-6-5-15-13(17)22-8-12(18)16-9-3-4-10(21-2)11(7-9)23(14,19)20/h3-7H,8H2,1-2H3,(H,16,18)(H2,14,19,20)
InChIKeyRJNRLNYHYHSHFB-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.81
Rot. Bonds6

About N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 4879500) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID4879500
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H16N4O4S2/c1-17-6-5-15-13(17)22-8-12(18)16-9-3-4-10(21-2)11(7-9)23(14,19)20/h3-7H,8H2,1-2H3,(H,16,18)(H2,14,19,20)
InChIKeyRJNRLNYHYHSHFB-UHFFFAOYSA-N
XLogP0.81
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878953
N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
CID 8487439
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
2-[4-(pyrrolidin-1-ylsulfonyl)-1H-imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16027149
N-(4-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 2821590
N-(4-ethoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]propanamide
CID 2996580
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827
N-hydroxy-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 16194794
N-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 16303955
N-(4-ethoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 677762
Acetamide, 2-((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-((methylamino)carbonyl)-
CID 3042663
N-[3-[1-(4-imidazol-1-ylphenyl)ethylsulfamoyl]-4-methoxyphenyl]acetamide
CID 16288554

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 4879500) is N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nccn2C)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is RJNRLNYHYHSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c1-17-6-5-15-13(17)22-8-12(18)16-9-3-4-10(21-2)11(7-9)23(14,19)20/h3-7H,8H2,1-2H3,(H,16,18)(H2,14,19,20).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 356.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4879500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).