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

C20H24N2O4S — CID 118021760

IUPACN-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c(c(-c3cc(C)c(=O)n(C)c3)c1)OC(C1CC1)C2
InChIInChI=1S/C20H24N2O4S/c1-4-27(24,25)21-16-8-14-9-18(13-5-6-13)26-19(14)17(10-16)15-7-12(2)20(23)22(3)11-15/h7-8,10-11,13,18,21H,4-6,9H2,1-3H3
InChIKeyPHNANMIWXCWADT-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.84
Rot. Bonds5

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

N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide (PubChem CID 118021760) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
PubChem CID118021760
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c(c(-c3cc(C)c(=O)n(C)c3)c1)OC(C1CC1)C2
InChIInChI=1S/C20H24N2O4S/c1-4-27(24,25)21-16-8-14-9-18(13-5-6-13)26-19(14)17(10-16)15-7-12(2)20(23)22(3)11-15/h7-8,10-11,13,18,21H,4-6,9H2,1-3H3
InChIKeyPHNANMIWXCWADT-UHFFFAOYSA-N
XLogP2.84
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-(4-Methoxy-1-Methyl-6-Oxo-1,6-Dihydropyridin-3-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 72549905
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 90018193
N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137789
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
CID 72548029
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90016835
N-[4-(4,4-difluorocyclohexyl)oxy-3-(4-ethoxy-1-methyl-6-oxopyridin-3-yl)phenyl]ethanesulfonamide
CID 90019850
N-[3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]ethanesulfonamide
CID 137657716
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]ethanesulfonamide
CID 137648962
US10023592, Example 447
CID 118021499
US10023592, Example 278
CID 118021665
US10023592, Example 140
CID 118021808
US10023592, Example 247
CID 118021865

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The IUPAC name of N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide (CID 118021760) is N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The canonical SMILES for N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc2c(c(-c3cc(C)c(=O)n(C)c3)c1)OC(C1CC1)C2.
What is the InChIKey of N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
The InChIKey is PHNANMIWXCWADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-27(24,25)21-16-8-14-9-18(13-5-6-13)26-19(14)17(10-16)15-7-12(2)20(23)22(3)11-15/h7-8,10-11,13,18,21H,4-6,9H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide?
N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]ethanesulfonamide is sourced from PubChem (CID 118021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).