3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide

C17H21N3O6S2 — CID 24637727

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H21N3O6S2/c1-12-3-4-13(11-16(12)27(18,22)23)20-17(21)9-10-19-28(24,25)15-7-5-14(26-2)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyWFORWOFUGMMDPC-UHFFFAOYSA-N
MW427.50 g/mol
LogP0.96
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide

3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 24637727) has the molecular formula C17H21N3O6S2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID24637727
Molecular FormulaC17H21N3O6S2
Molecular Weight427.50 g/mol
Exact Mass427.09
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H21N3O6S2/c1-12-3-4-13(11-16(12)27(18,22)23)20-17(21)9-10-19-28(24,25)15-7-5-14(26-2)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyWFORWOFUGMMDPC-UHFFFAOYSA-N
XLogP0.96
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 24637727) is 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is WFORWOFUGMMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S2/c1-12-3-4-13(11-16(12)27(18,22)23)20-17(21)9-10-19-28(24,25)15-7-5-14(26-2)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)(H2,18,22,23).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 427.50 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24637727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).