3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide

C19H20N2O5S — CID 24582409

IUPAC3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H20N2O5S/c22-19(9-5-13-4-8-17-18(10-13)26-12-25-17)20-15-2-1-3-16(11-15)27(23,24)21-14-6-7-14/h1-4,8,10-11,14,21H,5-7,9,12H2,(H,20,22)
InChIKeyQDJYXFPQPIYGCT-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.43
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide (PubChem CID 24582409) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
PubChem CID24582409
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H20N2O5S/c22-19(9-5-13-4-8-17-18(10-13)26-12-25-17)20-15-2-1-3-16(11-15)27(23,24)21-14-6-7-14/h1-4,8,10-11,14,21H,5-7,9,12H2,(H,20,22)
InChIKeyQDJYXFPQPIYGCT-UHFFFAOYSA-N
XLogP2.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
N-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-2-chloroacetamide
CID 57405335
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56506794

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide (CID 24582409) is 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide?
The InChIKey is QDJYXFPQPIYGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(9-5-13-4-8-17-18(10-13)26-12-25-17)20-15-2-1-3-16(11-15)27(23,24)21-14-6-7-14/h1-4,8,10-11,14,21H,5-7,9,12H2,(H,20,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide has a molecular weight of 388.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).