N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H26N2O7S — CID 4850487

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C22H26N2O7S/c1-15(2)30-18-8-7-16(32(26,27)24-9-11-28-12-10-24)13-17(18)23-22(25)21-14-29-19-5-3-4-6-20(19)31-21/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyJZRGUUUINJDMBG-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.27
Rot. Bonds6

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 4850487) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID4850487
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C22H26N2O7S/c1-15(2)30-18-8-7-16(32(26,27)24-9-11-28-12-10-24)13-17(18)23-22(25)21-14-29-19-5-3-4-6-20(19)31-21/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyJZRGUUUINJDMBG-UHFFFAOYSA-N
XLogP2.27
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282755
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455430
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
2-(2-fluorophenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4381780
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 4850487) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JZRGUUUINJDMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-15(2)30-18-8-7-16(32(26,27)24-9-11-28-12-10-24)13-17(18)23-22(25)21-14-29-19-5-3-4-6-20(19)31-21/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 4850487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).