N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

C19H22N2O5S — CID 8849984

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C19H22N2O5S/c1-13-3-6-18(14(2)11-13)27(23,24)20-8-7-19(22)21-15-4-5-16-17(12-15)26-10-9-25-16/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,22)
InChIKeyWYMAKOHZIXBDCN-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.38
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 8849984) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID8849984
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C19H22N2O5S/c1-13-3-6-18(14(2)11-13)27(23,24)20-8-7-19(22)21-15-4-5-16-17(12-15)26-10-9-25-16/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,22)
InChIKeyWYMAKOHZIXBDCN-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370751
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
3-(benzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17225952
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methylphenyl)propanamide
CID 109034407
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51160449
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-2-methylbenzamide
CID 56527363
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55846962

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (CID 8849984) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is WYMAKOHZIXBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-3-6-18(14(2)11-13)27(23,24)20-8-7-19(22)21-15-4-5-16-17(12-15)26-10-9-25-16/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 8849984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).