N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide

C20H24N2O5S — CID 1267737

IUPACN-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCCCc1cc2c(cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2
InChIInChI=1S/C20H24N2O5S/c1-3-4-16-11-19-20(27-13-26-19)12-18(16)22-28(24,25)17-7-5-15(6-8-17)9-10-21-14(2)23/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyCLZBIJWPWAOVTA-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.85
Rot. Bonds8

About N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide

N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide (PubChem CID 1267737) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide
PubChem CID1267737
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCCCc1cc2c(cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2
InChIInChI=1S/C20H24N2O5S/c1-3-4-16-11-19-20(27-13-26-19)12-18(16)22-28(24,25)17-7-5-15(6-8-17)9-10-21-14(2)23/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyCLZBIJWPWAOVTA-UHFFFAOYSA-N
XLogP2.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide (CID 1267737) is N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide is CCCc1cc2c(cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2.
What is the InChIKey of N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide?
The InChIKey is CLZBIJWPWAOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-4-16-11-19-20(27-13-26-19)12-18(16)22-28(24,25)17-7-5-15(6-8-17)9-10-21-14(2)23/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide?
N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 1267737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).