3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide

C20H25N3O3S — CID 77096218

IUPAC3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C20H25N3O3S/c1-23(13-11-16-6-3-2-4-7-16)27(25,26)19-9-5-8-17(14-19)20(24)22-18-10-12-21-15-18/h2-9,14,18,21H,10-13,15H2,1H3,(H,22,24)
InChIKeyRFBBGRVAPCJAMD-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.64
Rot. Bonds7

About 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide

3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 77096218) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
PubChem CID77096218
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C20H25N3O3S/c1-23(13-11-16-6-3-2-4-7-16)27(25,26)19-9-5-8-17(14-19)20(24)22-18-10-12-21-15-18/h2-9,14,18,21H,10-13,15H2,1H3,(H,22,24)
InChIKeyRFBBGRVAPCJAMD-UHFFFAOYSA-N
XLogP1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
CID 120895786
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide (CID 77096218) is 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide is CN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCNC2)c1.
What is the InChIKey of 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RFBBGRVAPCJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-23(13-11-16-6-3-2-4-7-16)27(25,26)19-9-5-8-17(14-19)20(24)22-18-10-12-21-15-18/h2-9,14,18,21H,10-13,15H2,1H3,(H,22,24).
What are the key properties of 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide?
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 77096218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).