4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

C22H27N3O4S — CID 56512454

IUPAC4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-5-15-23-30(28,29)20-13-11-19(12-14-20)22(27)25(6-2)16-17-7-9-18(10-8-17)21(26)24(3)4/h5,7-14,23H,1,6,15-16H2,2-4H3
InChIKeyFXCFXMPIAZHIJS-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.52
Rot. Bonds9

About 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56512454) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56512454
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-5-15-23-30(28,29)20-13-11-19(12-14-20)22(27)25(6-2)16-17-7-9-18(10-8-17)21(26)24(3)4/h5,7-14,23H,1,6,15-16H2,2-4H3
InChIKeyFXCFXMPIAZHIJS-UHFFFAOYSA-N
XLogP2.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18115747
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (CID 56512454) is 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is FXCFXMPIAZHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-5-15-23-30(28,29)20-13-11-19(12-14-20)22(27)25(6-2)16-17-7-9-18(10-8-17)21(26)24(3)4/h5,7-14,23H,1,6,15-16H2,2-4H3.
What are the key properties of 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 429.54 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56512454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).