N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C18H29N3O3S — CID 55879122

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)CN2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-15(14-21-11-3-4-12-21)13-20-18(22)10-7-16-5-8-17(9-6-16)25(23,24)19-2/h5-6,8-9,15,19H,3-4,7,10-14H2,1-2H3,(H,20,22)
InChIKeyXQJPQSYDXGBVOA-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.38
Rot. Bonds9

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 55879122) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID55879122
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)CN2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-15(14-21-11-3-4-12-21)13-20-18(22)10-7-16-5-8-17(9-6-16)25(23,24)19-2/h5-6,8-9,15,19H,3-4,7,10-14H2,1-2H3,(H,20,22)
InChIKeyXQJPQSYDXGBVOA-UHFFFAOYSA-N
XLogP1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55947271
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 55879122) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC(C)CN2CCCC2)cc1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is XQJPQSYDXGBVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15(14-21-11-3-4-12-21)13-20-18(22)10-7-16-5-8-17(9-6-16)25(23,24)19-2/h5-6,8-9,15,19H,3-4,7,10-14H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 367.52 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55879122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).