4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide

C20H23N3O3S — CID 55813935

IUPAC4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)19-10-8-16(9-11-19)20(24)22-17-6-5-7-18(15-17)23-13-3-4-14-23/h2,5-11,15,21H,1,3-4,12-14H2,(H,22,24)
InChIKeyVBYPSODXXLRNPR-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.00
Rot. Bonds7

About 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide

4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 55813935) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID55813935
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)19-10-8-16(9-11-19)20(24)22-17-6-5-7-18(15-17)23-13-3-4-14-23/h2,5-11,15,21H,1,3-4,12-14H2,(H,22,24)
InChIKeyVBYPSODXXLRNPR-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 31528464
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 55813935) is 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is VBYPSODXXLRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)19-10-8-16(9-11-19)20(24)22-17-6-5-7-18(15-17)23-13-3-4-14-23/h2,5-11,15,21H,1,3-4,12-14H2,(H,22,24).
What are the key properties of 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide?
4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 55813935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).