N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide

C21H25N3O4S — CID 9479644

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C21H25N3O4S/c1-5-11-22-29(27,28)18-8-6-7-17(13-18)21(26)24(4)14-20(25)23-19-12-15(2)9-10-16(19)3/h5-10,12-13,22H,1,11,14H2,2-4H3,(H,23,25)
InChIKeyAJRJYOCPSJFUBN-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.48
Rot. Bonds8

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9479644) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9479644
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C21H25N3O4S/c1-5-11-22-29(27,28)18-8-6-7-17(13-18)21(26)24(4)14-20(25)23-19-12-15(2)9-10-16(19)3/h5-10,12-13,22H,1,11,14H2,2-4H3,(H,23,25)
InChIKeyAJRJYOCPSJFUBN-UHFFFAOYSA-N
XLogP2.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9479566
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9319210
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828442
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide (CID 9479644) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is AJRJYOCPSJFUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-11-22-29(27,28)18-8-6-7-17(13-18)21(26)24(4)14-20(25)23-19-12-15(2)9-10-16(19)3/h5-10,12-13,22H,1,11,14H2,2-4H3,(H,23,25).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).