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

C20H23N3O3S — CID 30497083

IUPAC3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2)c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)17-9-7-8-16(15-17)20(24)22-18-10-3-4-11-19(18)23-13-5-6-14-23/h2-4,7-11,15,21H,1,5-6,12-14H2,(H,22,24)
InChIKeyKBLAYKDBTODXII-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.00
Rot. Bonds7

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

3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 30497083) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID30497083
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2)c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)17-9-7-8-16(15-17)20(24)22-18-10-3-4-11-19(18)23-13-5-6-14-23/h2-4,7-11,15,21H,1,5-6,12-14H2,(H,22,24)
InChIKeyKBLAYKDBTODXII-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
3-(prop-2-enylsulfamoyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 52799360
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813935
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 30497083) is 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2)c1.
What is the InChIKey of 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is KBLAYKDBTODXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-12-21-27(25,26)17-9-7-8-16(15-17)20(24)22-18-10-3-4-11-19(18)23-13-5-6-14-23/h2-4,7-11,15,21H,1,5-6,12-14H2,(H,22,24).
What are the key properties of 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3-(prop-2-enylsulfamoyl)-N-(2-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 3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 30497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).