3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C22H26N2O7S — CID 24555019

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O7S/c1-28-19-6-4-17(32(26,27)24-8-10-29-11-9-24)15-18(19)23-22(25)7-3-16-2-5-20-21(14-16)31-13-12-30-20/h2,4-6,14-15H,3,7-13H2,1H3,(H,23,25)
InChIKeyVXQRTRBZFDCZCF-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.06
Rot. Bonds7

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24555019) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24555019
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O7S/c1-28-19-6-4-17(32(26,27)24-8-10-29-11-9-24)15-18(19)23-22(25)7-3-16-2-5-20-21(14-16)31-13-12-30-20/h2,4-6,14-15H,3,7-13H2,1H3,(H,23,25)
InChIKeyVXQRTRBZFDCZCF-UHFFFAOYSA-N
XLogP2.06
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 55893839
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554821
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 24555019) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is VXQRTRBZFDCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-28-19-6-4-17(32(26,27)24-8-10-29-11-9-24)15-18(19)23-22(25)7-3-16-2-5-20-21(14-16)31-13-12-30-20/h2,4-6,14-15H,3,7-13H2,1H3,(H,23,25).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 462.52 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24555019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).