N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide

C18H23N3O3S — CID 90649211

IUPACN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-25(23,24)17-6-3-15(4-7-17)5-8-18(22)21(2)14-11-16-9-12-20-13-10-16/h3-4,6-7,9-10,12-13,19H,5,8,11,14H2,1-2H3
InChIKeySWHGOYQMZBXSEF-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.62
Rot. Bonds8

About N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 90649211) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID90649211
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-25(23,24)17-6-3-15(4-7-17)5-8-18(22)21(2)14-11-16-9-12-20-13-10-16/h3-4,6-7,9-10,12-13,19H,5,8,11,14H2,1-2H3
InChIKeySWHGOYQMZBXSEF-UHFFFAOYSA-N
XLogP1.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26994681
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 78794208
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 39756672
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide (CID 90649211) is N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is SWHGOYQMZBXSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-19-25(23,24)17-6-3-15(4-7-17)5-8-18(22)21(2)14-11-16-9-12-20-13-10-16/h3-4,6-7,9-10,12-13,19H,5,8,11,14H2,1-2H3.
What are the key properties of N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 90649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).