N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C19H22N2O5S — CID 1090448

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(2)21-27(23,24)16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-17-18(11-15)26-12-25-17/h3-4,6-9,11,13,21H,5,10,12H2,1-2H3,(H,20,22)
InChIKeyQICXNURBQWKCFG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.67
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1090448) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1090448
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(2)21-27(23,24)16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-17-18(11-15)26-12-25-17/h3-4,6-9,11,13,21H,5,10,12H2,1-2H3,(H,20,22)
InChIKeyQICXNURBQWKCFG-UHFFFAOYSA-N
XLogP2.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
4-[(1,3-benzodioxol-5-ylcarbamoyl)amino]-N-ethylbenzenesulfonamide
CID 2206548
4-acetyl-N-(1,3-benzodioxol-5-yl)benzenesulfonamide
CID 2486492
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5128939
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-{4-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]phenyl}acetamide
CID 733023
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
1-Phenylmethanesulfonyl-piperidine-3-carboxylic acid benzo[1,3]dioxol-5-ylamide
CID 647752
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-isobutylsulfamoyl-benzamide
CID 654454

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 1090448) is N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is QICXNURBQWKCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(2)21-27(23,24)16-7-3-14(4-8-16)5-10-19(22)20-15-6-9-17-18(11-15)26-12-25-17/h3-4,6-9,11,13,21H,5,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.67, 7 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-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1090448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).