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

C26H28N2O5S — CID 30252272

IUPAC2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C26H28N2O5S/c1-18-9-11-23(19(2)15-18)20(3)27-26(29)17-28(34(30,31)22-7-5-4-6-8-22)21-10-12-24-25(16-21)33-14-13-32-24/h4-12,15-16,20H,13-14,17H2,1-3H3,(H,27,29)/t20-/m0/s1
InChIKeyMKMGCCNUHJUKDP-FQEVSTJZSA-N
MW480.59 g/mol
LogP4.15
Rot. Bonds7

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

2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 30252272) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID30252272
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C26H28N2O5S/c1-18-9-11-23(19(2)15-18)20(3)27-26(29)17-28(34(30,31)22-7-5-4-6-8-22)21-10-12-24-25(16-21)33-14-13-32-24/h4-12,15-16,20H,13-14,17H2,1-3H3,(H,27,29)/t20-/m0/s1
InChIKeyMKMGCCNUHJUKDP-FQEVSTJZSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.15
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-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217942
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43899165
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30245032
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24605167
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92673457
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133167536
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43894135
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-phenylpropyl)acetamide
CID 133229151
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92672309
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43892934

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (CID 30252272) is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is MKMGCCNUHJUKDP-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-18-9-11-23(19(2)15-18)20(3)27-26(29)17-28(34(30,31)22-7-5-4-6-8-22)21-10-12-24-25(16-21)33-14-13-32-24/h4-12,15-16,20H,13-14,17H2,1-3H3,(H,27,29)/t20-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 4.15, 7 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-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30252272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).