N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

C18H26N2O5S — CID 7423356

IUPACN-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H26N2O5S/c1-2-20(15-6-4-3-5-7-15)26(22,23)11-10-19-18(21)14-8-9-16-17(12-14)25-13-24-16/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyZPSNKYDLDJBASC-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7423356) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7423356
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H26N2O5S/c1-2-20(15-6-4-3-5-7-15)26(22,23)11-10-19-18(21)14-8-9-16-17(12-14)25-13-24-16/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyZPSNKYDLDJBASC-UHFFFAOYSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4055032
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
CID 46082734
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7619183
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 7423356) is N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZPSNKYDLDJBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-2-20(15-6-4-3-5-7-15)26(22,23)11-10-19-18(21)14-8-9-16-17(12-14)25-13-24-16/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7423356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).