N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide

C12H17N3O3S — CID 78912240

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17N3O3S/c1-3-6-14-8-12(16)15-10-5-4-9(2)11(7-10)19(13,17)18/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)(H2,13,17,18)
InChIKeyUQJXPZRSWVJKMY-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.36
Rot. Bonds6

About N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide

N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78912240) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID78912240
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17N3O3S/c1-3-6-14-8-12(16)15-10-5-4-9(2)11(7-10)19(13,17)18/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)(H2,13,17,18)
InChIKeyUQJXPZRSWVJKMY-UHFFFAOYSA-N
XLogP0.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79280621
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide (CID 78912240) is N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is UQJXPZRSWVJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-6-14-8-12(16)15-10-5-4-9(2)11(7-10)19(13,17)18/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78912240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).