N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide

C17H18N2O5S — CID 24539703

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(21,22)14-5-1-12(2-6-14)4-8-17(20)19-10-13-3-7-15-16(9-13)24-11-23-15/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)(H2,18,21,22)
InChIKeyJMCNSZBRYTUTIK-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.31
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 24539703) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID24539703
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O5S/c18-25(21,22)14-5-1-12(2-6-14)4-8-17(20)19-10-13-3-7-15-16(9-13)24-11-23-15/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)(H2,18,21,22)
InChIKeyJMCNSZBRYTUTIK-UHFFFAOYSA-N
XLogP1.31
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254841
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
4-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxobutanamide
CID 58348844
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide (CID 24539703) is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is JMCNSZBRYTUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-25(21,22)14-5-1-12(2-6-14)4-8-17(20)19-10-13-3-7-15-16(9-13)24-11-23-15/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)(H2,18,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 362.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24539703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).