4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

C16H24N2O4S — CID 119535038

IUPAC4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-10-11-23(20,21)15-4-2-14(3-5-15)16(19)18-9-7-13-6-8-17-12-13/h2-5,13,17H,6-12H2,1H3,(H,18,19)
InChIKeyRSLMNRLNTRGTPR-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.84
Rot. Bonds8

About 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119535038) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119535038
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-10-11-23(20,21)15-4-2-14(3-5-15)16(19)18-9-7-13-6-8-17-12-13/h2-5,13,17H,6-12H2,1H3,(H,18,19)
InChIKeyRSLMNRLNTRGTPR-UHFFFAOYSA-N
XLogP0.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533516
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119535038) is 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide is COCCS(=O)(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is RSLMNRLNTRGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-10-11-23(20,21)15-4-2-14(3-5-15)16(19)18-9-7-13-6-8-17-12-13/h2-5,13,17H,6-12H2,1H3,(H,18,19).
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119535038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).