9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide

C25H35NO4S — CID 172862404

IUPAC9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
SMILESC=CCC(C)C(CCC(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C25H35NO4S/c1-5-6-19(2)25(31(26,27)28)16-11-22(17-20-7-12-23(29-3)13-8-20)18-21-9-14-24(30-4)15-10-21/h5,7-10,12-15,19,22,25H,1,6,11,16-18H2,2-4H3,(H2,26,27,28)
InChIKeyZNLYAZYTKXRDFB-UHFFFAOYSA-N
MW445.63 g/mol
LogP4.75
Rot. Bonds13

About 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide

9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide (PubChem CID 172862404) has the molecular formula C25H35NO4S and a molecular weight of 445.63 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
PubChem CID172862404
Molecular FormulaC25H35NO4S
Molecular Weight445.63 g/mol
Exact Mass445.23
IUPAC Name9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
SMILESC=CCC(C)C(CCC(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C25H35NO4S/c1-5-6-19(2)25(31(26,27)28)16-11-22(17-20-7-12-23(29-3)13-8-20)18-21-9-14-24(30-4)15-10-21/h5,7-10,12-15,19,22,25H,1,6,11,16-18H2,2-4H3,(H2,26,27,28)
InChIKeyZNLYAZYTKXRDFB-UHFFFAOYSA-N
XLogP4.75
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide;(3S,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide
CID 158176703
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(4S,5S)-9,9-dihydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 166665248
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
(2R,3R)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903663
(2R,3S)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903556
1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
CID 146494478
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
propan-2-yl (3S,4R)-3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methylhept-6-enoate
CID 130367530
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
CID 130367305

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide?
The IUPAC name of 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide (CID 172862404) is 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide.
What is the SMILES notation for 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide?
The canonical SMILES for 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide is C=CCC(C)C(CCC(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)S(N)(=O)=O.
What is the InChIKey of 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide?
The InChIKey is ZNLYAZYTKXRDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4S/c1-5-6-19(2)25(31(26,27)28)16-11-22(17-20-7-12-23(29-3)13-8-20)18-21-9-14-24(30-4)15-10-21/h5,7-10,12-15,19,22,25H,1,6,11,16-18H2,2-4H3,(H2,26,27,28).
What are the key properties of 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide?
9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide has a molecular weight of 445.63 g/mol, XLogP of 4.75, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide is sourced from PubChem (CID 172862404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).