2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide

C16H17N3O5S2 — CID 67951859

IUPAC2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O5S2/c1-11(2)16(20)18-12-3-9-15(10-4-12)26(23,24)19-13-5-7-14(8-6-13)25(17,21)22/h3-10,19H,1H2,2H3,(H,18,20)(H2,17,21,22)
InChIKeyMZLAKTBMNZFMJM-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide

2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 67951859) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID67951859
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O5S2/c1-11(2)16(20)18-12-3-9-15(10-4-12)26(23,24)19-13-5-7-14(8-6-13)25(17,21)22/h3-10,19H,1H2,2H3,(H,18,20)(H2,17,21,22)
InChIKeyMZLAKTBMNZFMJM-UHFFFAOYSA-N
XLogP1.65
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
CID 101364771
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
4-(2-methylprop-2-enoylamino)benzenesulfonic acid;prop-1-ene
CID 174843507
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
N-(4-ethylsulfanylsulfonylphenyl)-2-methylprop-2-enamide
CID 3633698
2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide
CID 89171115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 67951859) is 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is MZLAKTBMNZFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-11(2)16(20)18-12-3-9-15(10-4-12)26(23,24)19-13-5-7-14(8-6-13)25(17,21)22/h3-10,19H,1H2,2H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide?
2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 395.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 67951859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).