4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C22H29N3O4S — CID 42937302

IUPAC4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-29-16-13-24-30(27,28)20-11-9-19(10-12-20)22(26)23-17-21(25-14-5-6-15-25)18-7-3-2-4-8-18/h2-4,7-12,21,24H,5-6,13-17H2,1H3,(H,23,26)
InChIKeyURNPXUAYJMSLHZ-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.18
Rot. Bonds10

About 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 42937302) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID42937302
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-29-16-13-24-30(27,28)20-11-9-19(10-12-20)22(26)23-17-21(25-14-5-6-15-25)18-7-3-2-4-8-18/h2-4,7-12,21,24H,5-6,13-17H2,1H3,(H,23,26)
InChIKeyURNPXUAYJMSLHZ-UHFFFAOYSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42929558
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24544258
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60551693
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 43060346
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24544259
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55347344
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 42937302) is 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is URNPXUAYJMSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-29-16-13-24-30(27,28)20-11-9-19(10-12-20)22(26)23-17-21(25-14-5-6-15-25)18-7-3-2-4-8-18/h2-4,7-12,21,24H,5-6,13-17H2,1H3,(H,23,26).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 42937302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).