3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

C16H25N3O4S — CID 119533516

IUPAC3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C16H25N3O4S/c1-23-10-9-19-24(21,22)15-4-2-3-14(11-15)16(20)18-8-6-13-5-7-17-12-13/h2-4,11,13,17,19H,5-10,12H2,1H3,(H,18,20)
InChIKeyAIDRERKFHVIZFK-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.34
Rot. Bonds9

About 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119533516) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119533516
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C16H25N3O4S/c1-23-10-9-19-24(21,22)15-4-2-3-14(11-15)16(20)18-8-6-13-5-7-17-12-13/h2-4,11,13,17,19H,5-10,12H2,1H3,(H,18,20)
InChIKeyAIDRERKFHVIZFK-UHFFFAOYSA-N
XLogP0.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119533516) is 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is AIDRERKFHVIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-23-10-9-19-24(21,22)15-4-2-3-14(11-15)16(20)18-8-6-13-5-7-17-12-13/h2-4,11,13,17,19H,5-10,12H2,1H3,(H,18,20).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119533516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).