N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H22N2O6S — CID 9406618

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O6S/c23-20(16-3-6-18-19(13-16)28-12-11-27-18)21-14-15-1-4-17(5-2-15)29(24,25)22-7-9-26-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyOQZTZFYJTOYHCT-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.41
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 9406618) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID9406618
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O6S/c23-20(16-3-6-18-19(13-16)28-12-11-27-18)21-14-15-1-4-17(5-2-15)29(24,25)22-7-9-26-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyOQZTZFYJTOYHCT-UHFFFAOYSA-N
XLogP1.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331375
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
4-(benzenesulfonyl)-N-benzyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843297
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 9406618) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is OQZTZFYJTOYHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c23-20(16-3-6-18-19(13-16)28-12-11-27-18)21-14-15-1-4-17(5-2-15)29(24,25)22-7-9-26-10-8-22/h1-6,13H,7-12,14H2,(H,21,23).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 9406618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).