N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide

C14H19N3O4S — CID 167971518

IUPACN-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C14H19N3O4S/c1-5-14(19)17(4)9-13(18)16-12-8-11(7-6-10(12)2)22(20,21)15-3/h5-8,15H,1,9H2,2-4H3,(H,16,18)
InChIKeyAPZVYKJBCNGDDK-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.49
Rot. Bonds6

About N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide

N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide (PubChem CID 167971518) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
PubChem CID167971518
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C14H19N3O4S/c1-5-14(19)17(4)9-13(18)16-12-8-11(7-6-10(12)2)22(20,21)15-3/h5-8,15H,1,9H2,2-4H3,(H,16,18)
InChIKeyAPZVYKJBCNGDDK-UHFFFAOYSA-N
XLogP0.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100789963
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100790047
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 9479644
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100791984

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide (CID 167971518) is N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide?
The InChIKey is APZVYKJBCNGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-5-14(19)17(4)9-13(18)16-12-8-11(7-6-10(12)2)22(20,21)15-3/h5-8,15H,1,9H2,2-4H3,(H,16,18).
What are the key properties of N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide?
N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide has a molecular weight of 325.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 167971518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).