2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C27H30N2O5S — CID 43899165

IUPAC2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C27H30N2O5S/c1-4-24(23-12-10-19(2)16-20(23)3)28-27(30)18-29(35(31,32)22-8-6-5-7-9-22)21-11-13-25-26(17-21)34-15-14-33-25/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,28,30)
InChIKeyJTGISNTYNHDBIX-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.54
Rot. Bonds8

About 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 43899165) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID43899165
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C27H30N2O5S/c1-4-24(23-12-10-19(2)16-20(23)3)28-27(30)18-29(35(31,32)22-8-6-5-7-9-22)21-11-13-25-26(17-21)34-15-14-33-25/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,28,30)
InChIKeyJTGISNTYNHDBIX-UHFFFAOYSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30252272
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217942
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30252296
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43893227
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92673457
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30245032
N-[1-(2,4-dimethylphenyl)propyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43894438
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43892614
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24605167
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43897993
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 43899165) is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is JTGISNTYNHDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-4-24(23-12-10-19(2)16-20(23)3)28-27(30)18-29(35(31,32)22-8-6-5-7-9-22)21-11-13-25-26(17-21)34-15-14-33-25/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,28,30).
What are the key properties of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 494.61 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 43899165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).