N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

C26H28F2N2O5S — CID 118116651

IUPACN-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N(CC2CC2)S(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3
InChIKeyDHWSZNUWEBHWKM-UHFFFAOYSA-N
MW518.58 g/mol
LogP5.09
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 118116651) has the molecular formula C26H28F2N2O5S and a molecular weight of 518.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID118116651
Molecular FormulaC26H28F2N2O5S
Molecular Weight518.58 g/mol
Exact Mass518.17
IUPAC NameN-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(N(CC2CC2)S(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3
InChIKeyDHWSZNUWEBHWKM-UHFFFAOYSA-N
XLogP5.09
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 118116651) is N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCOc1cc(=O)n(C)cc1-c1cc(N(CC2CC2)S(=O)(=O)CC)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is DHWSZNUWEBHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 518.58 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 118116651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).