3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H29N3O3S — CID 119537403

IUPAC3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2CCNC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-12-16(7-6-14(17)3)18(22)20-11-9-15-8-10-19-13-15/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyWECCRMYIANAXPY-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.75
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537403) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537403
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2CCNC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-12-16(7-6-14(17)3)18(22)20-11-9-15-8-10-19-13-15/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyWECCRMYIANAXPY-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389715
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537403) is 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC2CCNC2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is WECCRMYIANAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-12-16(7-6-14(17)3)18(22)20-11-9-15-8-10-19-13-15/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 367.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).