N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide

C20H26N2O4S — CID 118022156

IUPACN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
SMILESCCCC1Cc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1
InChIInChI=1S/C20H26N2O4S/c1-5-7-17-10-14-9-16(21-27(24,25)6-2)11-18(19(14)26-17)15-8-13(3)20(23)22(4)12-15/h8-9,11-12,17,21H,5-7,10H2,1-4H3
InChIKeyPBORVZVPTRTNPQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.23
Rot. Bonds6

About N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide

N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide (PubChem CID 118022156) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
PubChem CID118022156
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
SMILESCCCC1Cc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1
InChIInChI=1S/C20H26N2O4S/c1-5-7-17-10-14-9-16(21-27(24,25)6-2)11-18(19(14)26-17)15-8-13(3)20(23)22(4)12-15/h8-9,11-12,17,21H,5-7,10H2,1-4H3
InChIKeyPBORVZVPTRTNPQ-UHFFFAOYSA-N
XLogP3.23
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The IUPAC name of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide (CID 118022156) is N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The canonical SMILES for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide is CCCC1Cc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1.
What is the InChIKey of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The InChIKey is PBORVZVPTRTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-7-17-10-14-9-16(21-27(24,25)6-2)11-18(19(14)26-17)15-8-13(3)20(23)22(4)12-15/h8-9,11-12,17,21H,5-7,10H2,1-4H3.
What are the key properties of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-propyl-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide is sourced from PubChem (CID 118022156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).