3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C21H27N3O3S — CID 55462512

IUPAC3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C21H27N3O3S/c1-2-23-28(26,27)19-12-8-11-18(15-19)21(25)22-16-20(24-13-6-7-14-24)17-9-4-3-5-10-17/h3-5,8-12,15,20,23H,2,6-7,13-14,16H2,1H3,(H,22,25)
InChIKeyDTFGNEGWLDAWCM-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.55
Rot. Bonds8

About 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 55462512) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID55462512
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C21H27N3O3S/c1-2-23-28(26,27)19-12-8-11-18(15-19)21(25)22-16-20(24-13-6-7-14-24)17-9-4-3-5-10-17/h3-5,8-12,15,20,23H,2,6-7,13-14,16H2,1H3,(H,22,25)
InChIKeyDTFGNEGWLDAWCM-UHFFFAOYSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 43006606
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 55462512) is 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is DTFGNEGWLDAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-23-28(26,27)19-12-8-11-18(15-19)21(25)22-16-20(24-13-6-7-14-24)17-9-4-3-5-10-17/h3-5,8-12,15,20,23H,2,6-7,13-14,16H2,1H3,(H,22,25).
What are the key properties of 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 55462512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).