N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide

C20H24N2O5S — CID 1090604

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O5S/c1-20(2,3)22-28(24,25)16-8-4-14(5-9-16)6-11-19(23)21-15-7-10-17-18(12-15)27-13-26-17/h4-5,7-10,12,22H,6,11,13H2,1-3H3,(H,21,23)
InChIKeyGTZDRXBBMNTDMZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.06
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (PubChem CID 1090604) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
PubChem CID1090604
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O5S/c1-20(2,3)22-28(24,25)16-8-4-14(5-9-16)6-11-19(23)21-15-7-10-17-18(12-15)27-13-26-17/h4-5,7-10,12,22H,6,11,13H2,1-3H3,(H,21,23)
InChIKeyGTZDRXBBMNTDMZ-UHFFFAOYSA-N
XLogP3.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.06
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)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
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
1-Phenylmethanesulfonyl-piperidine-3-carboxylic acid benzo[1,3]dioxol-5-ylamide
CID 647752
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
CID 649011
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 986751

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (CID 1090604) is N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The InChIKey is GTZDRXBBMNTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-20(2,3)22-28(24,25)16-8-4-14(5-9-16)6-11-19(23)21-15-7-10-17-18(12-15)27-13-26-17/h4-5,7-10,12,22H,6,11,13H2,1-3H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 3.06, 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-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1090604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).