N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

C20H23NO6S — CID 9160257

IUPACN-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H23NO6S/c22-20(14-5-2-1-3-6-14)21-12-19(17-7-4-10-25-17)28(23,24)15-8-9-16-18(11-15)27-13-26-16/h4,7-11,14,19H,1-3,5-6,12-13H2,(H,21,22)/t19-/m1/s1
InChIKeyZBYITZQVUPDCRD-LJQANCHMSA-N
MW405.47 g/mol
LogP3.22
Rot. Bonds6

About N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 9160257) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID9160257
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC NameN-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H23NO6S/c22-20(14-5-2-1-3-6-14)21-12-19(17-7-4-10-25-17)28(23,24)15-8-9-16-18(11-15)27-13-26-16/h4,7-11,14,19H,1-3,5-6,12-13H2,(H,21,22)/t19-/m1/s1
InChIKeyZBYITZQVUPDCRD-LJQANCHMSA-N
XLogP3.22
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 9160195
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-chloroacetamide
CID 9160281
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160245
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 9160349
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 9160361
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (CID 9160257) is N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ZBYITZQVUPDCRD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO6S/c22-20(14-5-2-1-3-6-14)21-12-19(17-7-4-10-25-17)28(23,24)15-8-9-16-18(11-15)27-13-26-16/h4,7-11,14,19H,1-3,5-6,12-13H2,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).