2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide

C24H33NO5S — CID 130367829

IUPAC2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
SMILESC=CCCC(C(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C24H33NO5S/c1-6-7-8-23(24(2,3)26)31(27,28)25(17-19-9-13-21(29-4)14-10-19)18-20-11-15-22(30-5)16-12-20/h6,9-16,23,26H,1,7-8,17-18H2,2-5H3
InChIKeyBGJMVRDRTLFARO-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.14
Rot. Bonds12

About 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide

2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide (PubChem CID 130367829) has the molecular formula C24H33NO5S and a molecular weight of 447.60 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
PubChem CID130367829
Molecular FormulaC24H33NO5S
Molecular Weight447.60 g/mol
Exact Mass447.21
IUPAC Name2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
SMILESC=CCCC(C(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C24H33NO5S/c1-6-7-8-23(24(2,3)26)31(27,28)25(17-19-9-13-21(29-4)14-10-19)18-20-11-15-22(30-5)16-12-20/h6,9-16,23,26H,1,7-8,17-18H2,2-5H3
InChIKeyBGJMVRDRTLFARO-UHFFFAOYSA-N
XLogP4.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.14
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

(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
CID 130367372
(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
N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
CID 130367308
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylhex-5-ene-2-sulfonamide
CID 130367447
(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
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
(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
(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]methanesulfonamide
CID 71200548

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide?
The IUPAC name of 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide (CID 130367829) is 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide.
What is the SMILES notation for 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide?
The canonical SMILES for 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide is C=CCCC(C(C)(C)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide?
The InChIKey is BGJMVRDRTLFARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5S/c1-6-7-8-23(24(2,3)26)31(27,28)25(17-19-9-13-21(29-4)14-10-19)18-20-11-15-22(30-5)16-12-20/h6,9-16,23,26H,1,7-8,17-18H2,2-5H3.
What are the key properties of 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide?
2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide has a molecular weight of 447.60 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide is sourced from PubChem (CID 130367829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).