2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide

C16H22N4O5S2 — CID 20921852

IUPAC2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC
InChIInChI=1S/C16H22N4O5S2/c1-11-6-5-7-13(12(11)2)19-16(21)10-20-8-14(26(22,23)17-3)15(9-20)27(24,25)18-4/h5-9,17-18H,10H2,1-4H3,(H,19,21)
InChIKeyQWMNUONCRSSPLL-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.56
Rot. Bonds7

About 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 20921852) has the molecular formula C16H22N4O5S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID20921852
Molecular FormulaC16H22N4O5S2
Molecular Weight414.51 g/mol
Exact Mass414.10
IUPAC Name2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCNS(=O)(=O)c1cn(CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC
InChIInChI=1S/C16H22N4O5S2/c1-11-6-5-7-13(12(11)2)19-16(21)10-20-8-14(26(22,23)17-3)15(9-20)27(24,25)18-4/h5-9,17-18H,10H2,1-4H3,(H,19,21)
InChIKeyQWMNUONCRSSPLL-UHFFFAOYSA-N
XLogP0.56
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 864327
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 20921852) is 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide is CNS(=O)(=O)c1cn(CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC.
What is the InChIKey of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QWMNUONCRSSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S2/c1-11-6-5-7-13(12(11)2)19-16(21)10-20-8-14(26(22,23)17-3)15(9-20)27(24,25)18-4/h5-9,17-18H,10H2,1-4H3,(H,19,21).
What are the key properties of 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 20921852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).