5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide

C23H24N2O6S2 — CID 55396770

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H24N2O6S2/c1-4-29-18-8-6-16(14-22(18)33(27,28)25(2)3)24-23(26)21-10-9-20(32-21)15-5-7-17-19(13-15)31-12-11-30-17/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyRAPFSDNSRLKQQF-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.09
Rot. Bonds7

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide (PubChem CID 55396770) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide
PubChem CID55396770
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H24N2O6S2/c1-4-29-18-8-6-16(14-22(18)33(27,28)25(2)3)24-23(26)21-10-9-20(32-21)15-5-7-17-19(13-15)31-12-11-30-17/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyRAPFSDNSRLKQQF-UHFFFAOYSA-N
XLogP4.09
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 55879229
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
(5R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9470190
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(1,3-dithian-2-yl)benzamide
CID 26421884
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 9470081
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 37344996
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide (CID 55396770) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide?
The InChIKey is RAPFSDNSRLKQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-4-29-18-8-6-16(14-22(18)33(27,28)25(2)3)24-23(26)21-10-9-20(32-21)15-5-7-17-19(13-15)31-12-11-30-17/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,26).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55396770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).