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

C27H30N2O6S — CID 30252150

IUPAC2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O6S/c1-2-33-23-13-10-21(11-14-23)7-6-16-28-27(30)20-29(36(31,32)24-8-4-3-5-9-24)22-12-15-25-26(19-22)35-18-17-34-25/h3-5,8-15,19H,2,6-7,16-18,20H2,1H3,(H,28,30)
InChIKeyHOEWUIWDXJMKRX-UHFFFAOYSA-N
MW510.61 g/mol
LogP3.80
Rot. Bonds11

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

2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide (PubChem CID 30252150) has the molecular formula C27H30N2O6S and a molecular weight of 510.61 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
PubChem CID30252150
Molecular FormulaC27H30N2O6S
Molecular Weight510.61 g/mol
Exact Mass510.18
IUPAC Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O6S/c1-2-33-23-13-10-21(11-14-23)7-6-16-28-27(30)20-29(36(31,32)24-8-4-3-5-9-24)22-12-15-25-26(19-22)35-18-17-34-25/h3-5,8-15,19H,2,6-7,16-18,20H2,1H3,(H,28,30)
InChIKeyHOEWUIWDXJMKRX-UHFFFAOYSA-N
XLogP3.80
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30212800
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30215078
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126196981
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30252112
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30208402
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126195643
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 43897803
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30248576
2-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132690727

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide (CID 30252150) is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide is CCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide?
The InChIKey is HOEWUIWDXJMKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6S/c1-2-33-23-13-10-21(11-14-23)7-6-16-28-27(30)20-29(36(31,32)24-8-4-3-5-9-24)22-12-15-25-26(19-22)35-18-17-34-25/h3-5,8-15,19H,2,6-7,16-18,20H2,1H3,(H,28,30).
What are the key properties of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide?
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide has a molecular weight of 510.61 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[3-(4-ethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30252150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).