1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide

C23H28N2O6S — CID 55983561

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC
InChIInChI=1S/C23H28N2O6S/c1-3-32(27,28)25-18-8-7-17(15-20(18)29-2)24-22(26)23(10-4-5-11-23)16-6-9-19-21(14-16)31-13-12-30-19/h6-9,14-15,25H,3-5,10-13H2,1-2H3,(H,24,26)
InChIKeyZPNPAWOKQHPNSL-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.68
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide (PubChem CID 55983561) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide
PubChem CID55983561
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC
InChIInChI=1S/C23H28N2O6S/c1-3-32(27,28)25-18-8-7-17(15-20(18)29-2)24-22(26)23(10-4-5-11-23)16-6-9-19-21(14-16)31-13-12-30-19/h6-9,14-15,25H,3-5,10-13H2,1-2H3,(H,24,26)
InChIKeyZPNPAWOKQHPNSL-UHFFFAOYSA-N
XLogP3.68
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 55779910
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198757
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopentane-1-carboxamide
CID 34873776
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 55480019
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 113198740
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 59206689
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide (CID 55983561) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide?
The InChIKey is ZPNPAWOKQHPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-3-32(27,28)25-18-8-7-17(15-20(18)29-2)24-22(26)23(10-4-5-11-23)16-6-9-19-21(14-16)31-13-12-30-19/h6-9,14-15,25H,3-5,10-13H2,1-2H3,(H,24,26).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55983561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).