N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C23H28N2O7S — CID 33178495

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C23H28N2O7S/c1-3-30-19-8-7-17(33(27,28)25-9-5-4-6-10-25)15-18(19)24-23(26)16-13-20(29-2)22-21(14-16)31-11-12-32-22/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,26)
InChIKeyUDLSGFWTFSTBOT-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.29
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 33178495) has the molecular formula C23H28N2O7S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID33178495
Molecular FormulaC23H28N2O7S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C23H28N2O7S/c1-3-30-19-8-7-17(33(27,28)25-9-5-4-6-10-25)15-18(19)24-23(26)16-13-20(29-2)22-21(14-16)31-11-12-32-22/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,26)
InChIKeyUDLSGFWTFSTBOT-UHFFFAOYSA-N
XLogP3.29
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 33178495) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)c2c(c1)OCCO2.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is UDLSGFWTFSTBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7S/c1-3-30-19-8-7-17(33(27,28)25-9-5-4-6-10-25)15-18(19)24-23(26)16-13-20(29-2)22-21(14-16)31-11-12-32-22/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 33178495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).