(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid

C26H28N2O5S — CID 10096697

IUPAC(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-33-23-12-14-24(15-13-23)34(31,32)28-18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(29)30)22-5-4-17-27-19-22/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
InChIKeyRROZSWAPBMHDGH-KXEZBXAJSA-N
MW480.59 g/mol
LogP4.30
Rot. Bonds12

About (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid

(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid (PubChem CID 10096697) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid.

Molecular Properties

Compound Name(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
PubChem CID10096697
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-33-23-12-14-24(15-13-23)34(31,32)28-18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(29)30)22-5-4-17-27-19-22/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
InChIKeyRROZSWAPBMHDGH-KXEZBXAJSA-N
XLogP4.30
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Evatanepag
CID 9890801
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
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3-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
(2R)-3-methyl-2-[[4-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]phenyl]sulfonylamino]butanoic acid
CID 57395459
(2R)-3-methyl-2-[[4-[4-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]phenyl]sulfonylamino]butanoic acid
CID 57400708
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
(R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl-3-(pyridin-3-yl)propanamide
CID 9903007
(R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-4-methyl-2-(pyridin-3-ylmethyl)pentanamide
CID 10135125

Frequently Asked Questions

What is the IUPAC name of (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The IUPAC name of (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid (CID 10096697) is (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid.
What is the SMILES notation for (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The canonical SMILES for (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid is COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1.
What is the InChIKey of (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The InChIKey is RROZSWAPBMHDGH-KXEZBXAJSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-33-23-12-14-24(15-13-23)34(31,32)28-18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(29)30)22-5-4-17-27-19-22/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+.
What are the key properties of (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
(E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid has a molecular weight of 480.59 g/mol, XLogP of 4.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid is sourced from PubChem (CID 10096697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).