4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide

C20H27N3O5S — CID 16574023

IUPAC4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCCO3)n(C)c1
InChIInChI=1S/C20H27N3O5S/c1-4-23(5-2)29(25,26)16-13-17(22(3)14-16)20(24)21-9-8-15-6-7-18-19(12-15)28-11-10-27-18/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyZUUKWUDLVMYCEW-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.80
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 16574023) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID16574023
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCCO3)n(C)c1
InChIInChI=1S/C20H27N3O5S/c1-4-23(5-2)29(25,26)16-13-17(22(3)14-16)20(24)21-9-8-15-6-7-18-19(12-15)28-11-10-27-18/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyZUUKWUDLVMYCEW-UHFFFAOYSA-N
XLogP1.80
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
4-(diethylsulfamoyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 34141788
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 29261731
4-(diethylsulfamoyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 55579623
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 7927529
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide (CID 16574023) is 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCCO3)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZUUKWUDLVMYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-23(5-2)29(25,26)16-13-17(22(3)14-16)20(24)21-9-8-15-6-7-18-19(12-15)28-11-10-27-18/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,21,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 16574023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).