N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide

C19H21N3O4S — CID 34545917

IUPACN,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-13-20-27(25,26)17-11-7-14(8-12-17)18(23)21-16-9-5-15(6-10-16)19(24)22(2)3/h4-12,20H,1,13H2,2-3H3,(H,21,23)
InChIKeyQKGFDECVPATKLA-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.11
Rot. Bonds7

About N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide

N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 34545917) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
PubChem CID34545917
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-13-20-27(25,26)17-11-7-14(8-12-17)18(23)21-16-9-5-15(6-10-16)19(24)22(2)3/h4-12,20H,1,13H2,2-3H3,(H,21,23)
InChIKeyQKGFDECVPATKLA-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.11
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-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide (CID 34545917) is N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is QKGFDECVPATKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-13-20-27(25,26)17-11-7-14(8-12-17)18(23)21-16-9-5-15(6-10-16)19(24)22(2)3/h4-12,20H,1,13H2,2-3H3,(H,21,23).
What are the key properties of N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide?
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 34545917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).