2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide

C25H35N3O7S — CID 155565771

IUPAC2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C(C)C)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C25H35N3O7S/c1-17(2)28-5-6-34-21(13-28)15-35-24-11-18(9-20-14-33-16-22(20)24)19-10-23(25(32-4)26-12-19)27-36(29,30)8-7-31-3/h9-12,17,21,27H,5-8,13-16H2,1-4H3/t21-/m1/s1
InChIKeyNGUFXHKLJDXNHF-OAQYLSRUSA-N
MW521.64 g/mol
LogP2.66
Rot. Bonds11

About 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide

2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 155565771) has the molecular formula C25H35N3O7S and a molecular weight of 521.64 g/mol. Its IUPAC name is 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID155565771
Molecular FormulaC25H35N3O7S
Molecular Weight521.64 g/mol
Exact Mass521.22
IUPAC Name2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C(C)C)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C25H35N3O7S/c1-17(2)28-5-6-34-21(13-28)15-35-24-11-18(9-20-14-33-16-22(20)24)19-10-23(25(32-4)26-12-19)27-36(29,30)8-7-31-3/h9-12,17,21,27H,5-8,13-16H2,1-4H3/t21-/m1/s1
InChIKeyNGUFXHKLJDXNHF-OAQYLSRUSA-N
XLogP2.66
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide (CID 155565771) is 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide is COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C(C)C)CCO4)c2)COC3)cnc1OC.
What is the InChIKey of 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is NGUFXHKLJDXNHF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N3O7S/c1-17(2)28-5-6-34-21(13-28)15-35-24-11-18(9-20-14-33-16-22(20)24)19-10-23(25(32-4)26-12-19)27-36(29,30)8-7-31-3/h9-12,17,21,27H,5-8,13-16H2,1-4H3/t21-/m1/s1.
What are the key properties of 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 521.64 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 155565771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).