(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide

C52H74N2O8S2 — CID 159979062

IUPAC(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide
SMILESC=CCC[C@@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.C=CCC[C@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/2C26H37NO4S/c2*1-6-8-18-26(3,19-9-7-2)32(28,29)27(20-22-10-14-24(30-4)15-11-22)21-23-12-16-25(31-5)17-13-23/h2*6,10-17H,1,7-9,18-21H2,2-5H3/t2*26-/m10/s1
InChIKeyOFNJFLQUUZLAAT-UVZIVPAYSA-N
MW919.30 g/mol
LogP11.90
Rot. Bonds28

About (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide

(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide (PubChem CID 159979062) has the molecular formula C52H74N2O8S2 and a molecular weight of 919.30 g/mol. Its IUPAC name is (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide.

Molecular Properties

Compound Name(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide
PubChem CID159979062
Molecular FormulaC52H74N2O8S2
Molecular Weight919.30 g/mol
Exact Mass918.49
IUPAC Name(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide
SMILESC=CCC[C@@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.C=CCC[C@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/2C26H37NO4S/c2*1-6-8-18-26(3,19-9-7-2)32(28,29)27(20-22-10-14-24(30-4)15-11-22)21-23-12-16-25(31-5)17-13-23/h2*6,10-17H,1,7-9,18-21H2,2-5H3/t2*26-/m10/s1
InChIKeyOFNJFLQUUZLAAT-UVZIVPAYSA-N
XLogP11.90
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.30
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide with MolForge

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Related Compounds

(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid
CID 145359163
(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide
CID 162456454
2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
CID 130367829
(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
CID 130367372
methyl (2S)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]-2-methylpent-4-enoate
CID 157182119
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide
CID 130367174
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
CID 130367308

Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide?
The IUPAC name of (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide (CID 159979062) is (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide.
What is the SMILES notation for (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide?
The canonical SMILES for (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide is C=CCC[C@@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.C=CCC[C@](C)(CCCC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide?
The InChIKey is OFNJFLQUUZLAAT-UVZIVPAYSA-N. The full InChI is InChI=1S/2C26H37NO4S/c2*1-6-8-18-26(3,19-9-7-2)32(28,29)27(20-22-10-14-24(30-4)15-11-22)21-23-12-16-25(31-5)17-13-23/h2*6,10-17H,1,7-9,18-21H2,2-5H3/t2*26-/m10/s1.
What are the key properties of (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide?
(5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide has a molecular weight of 919.30 g/mol, XLogP of 11.90, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide;(5R)-N,N-bis[(4-methoxyphenyl)methyl]-5-methylnon-1-ene-5-sulfonamide is sourced from PubChem (CID 159979062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).