N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

C24H31N3O6S — CID 645581

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H31N3O6S/c1-5-24(3,4)26-22(28)16-27(18-8-11-20-21(14-18)33-13-12-32-20)23(29)15-25-34(30,31)19-9-6-17(2)7-10-19/h6-11,14,25H,5,12-13,15-16H2,1-4H3,(H,26,28)
InChIKeyHIJBZALNPYRQKK-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.38
Rot. Bonds9

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 645581) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID645581
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H31N3O6S/c1-5-24(3,4)26-22(28)16-27(18-8-11-20-21(14-18)33-13-12-32-20)23(29)15-25-34(30,31)19-9-6-17(2)7-10-19/h6-11,14,25H,5,12-13,15-16H2,1-4H3,(H,26,28)
InChIKeyHIJBZALNPYRQKK-UHFFFAOYSA-N
XLogP2.38
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 645581) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is CCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is HIJBZALNPYRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-5-24(3,4)26-22(28)16-27(18-8-11-20-21(14-18)33-13-12-32-20)23(29)15-25-34(30,31)19-9-6-17(2)7-10-19/h6-11,14,25H,5,12-13,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 489.59 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 645581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).