(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide

C25H35NO5S — CID 130367372

IUPAC(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
SMILESC=CCC[C@H](CC(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H35NO5S/c1-6-7-8-24(17-25(2,3)27)32(28,29)26(18-20-9-13-22(30-4)14-10-20)19-21-11-15-23(31-5)16-12-21/h6,9-16,24,27H,1,7-8,17-19H2,2-5H3/t24-/m1/s1
InChIKeyDGQAMAZZSOBOLE-XMMPIXPASA-N
MW461.62 g/mol
LogP4.53
Rot. Bonds13

About (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide

(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide (PubChem CID 130367372) has the molecular formula C25H35NO5S and a molecular weight of 461.62 g/mol. Its IUPAC name is (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide.

Molecular Properties

Compound Name(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
PubChem CID130367372
Molecular FormulaC25H35NO5S
Molecular Weight461.62 g/mol
Exact Mass461.22
IUPAC Name(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
SMILESC=CCC[C@H](CC(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H35NO5S/c1-6-7-8-24(17-25(2,3)27)32(28,29)26(18-20-9-13-22(30-4)14-10-20)19-21-11-15-23(31-5)16-12-21/h6,9-16,24,27H,1,7-8,17-19H2,2-5H3/t24-/m1/s1
InChIKeyDGQAMAZZSOBOLE-XMMPIXPASA-N
XLogP4.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
CID 130367829
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylhex-5-ene-2-sulfonamide
CID 130367447
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
(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
(4S,5S)-9,9-dihydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 166665248
N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
CID 130367308
(2R)-1-methoxy-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]pent-4-ene-2-sulfonamide;(2S)-1-methoxy-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]pent-4-ene-2-sulfonamide
CID 159970281
1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
CID 146494478
(2R)-N-[[4-[[5-[[[(2S)-hex-5-en-2-yl]sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenyl]methoxy]phenyl]methyl]-N-[(4-methoxyphenyl)methyl]hex-5-ene-2-sulfonamide
CID 138744204
(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid
CID 145359163
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide?
The IUPAC name of (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide (CID 130367372) is (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide.
What is the SMILES notation for (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide?
The canonical SMILES for (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide is C=CCC[C@H](CC(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide?
The InChIKey is DGQAMAZZSOBOLE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H35NO5S/c1-6-7-8-24(17-25(2,3)27)32(28,29)26(18-20-9-13-22(30-4)14-10-20)19-21-11-15-23(31-5)16-12-21/h6,9-16,24,27H,1,7-8,17-19H2,2-5H3/t24-/m1/s1.
What are the key properties of (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide?
(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide has a molecular weight of 461.62 g/mol, XLogP of 4.53, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide is sourced from PubChem (CID 130367372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).