N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

C21H26N2O6S — CID 18159614

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1OC
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(25,26)20-13-16(7-9-18(20)27-3)21(24)22-11-10-15-6-8-17-19(12-15)29-14-28-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyOMMLBDZQZWMQGS-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.43
Rot. Bonds9

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 18159614) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID18159614
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1OC
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(25,26)20-13-16(7-9-18(20)27-3)21(24)22-11-10-15-6-8-17-19(12-15)29-14-28-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyOMMLBDZQZWMQGS-UHFFFAOYSA-N
XLogP2.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 34197541
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
CID 55387829
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 18159614) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1OC.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is OMMLBDZQZWMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-23(5-2)30(25,26)20-13-16(7-9-18(20)27-3)21(24)22-11-10-15-6-8-17-19(12-15)29-14-28-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 434.51 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 18159614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).