N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide

C26H30N2O4S — CID 130367308

IUPACN,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
SMILESC=CCCC(c1ccccn1)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-5-9-26(25-8-6-7-18-27-25)33(29,30)28(19-21-10-14-23(31-2)15-11-21)20-22-12-16-24(32-3)17-13-22/h4,6-8,10-18,26H,1,5,9,19-20H2,2-3H3
InChIKeyOEKIDPTXRMQDBK-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.14
Rot. Bonds12

About N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide (PubChem CID 130367308) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
PubChem CID130367308
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide
SMILESC=CCCC(c1ccccn1)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-5-9-26(25-8-6-7-18-27-25)33(29,30)28(19-21-10-14-23(31-2)15-11-21)20-22-12-16-24(32-3)17-13-22/h4,6-8,10-18,26H,1,5,9,19-20H2,2-3H3
InChIKeyOEKIDPTXRMQDBK-UHFFFAOYSA-N
XLogP5.14
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylhex-5-ene-2-sulfonamide
CID 130367447
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
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
(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
(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
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
(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
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
(4S,5S)-9,9-dihydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 166665248

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide (CID 130367308) is N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide is C=CCCC(c1ccccn1)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide?
The InChIKey is OEKIDPTXRMQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-5-9-26(25-8-6-7-18-27-25)33(29,30)28(19-21-10-14-23(31-2)15-11-21)20-22-12-16-24(32-3)17-13-22/h4,6-8,10-18,26H,1,5,9,19-20H2,2-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide has a molecular weight of 466.60 g/mol, XLogP of 5.14, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylpent-4-ene-1-sulfonamide is sourced from PubChem (CID 130367308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).