N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide

C23H31NO4S — CID 130367174

IUPACN,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)N(CCc1ccc(OC)cc1)CCc1ccc(OC)cc1
InChIInChI=1S/C23H31NO4S/c1-4-5-6-19-29(25,26)24(17-15-20-7-11-22(27-2)12-8-20)18-16-21-9-13-23(28-3)14-10-21/h4,7-14H,1,5-6,15-19H2,2-3H3
InChIKeyPNXQZGQJADWHRW-UHFFFAOYSA-N
MW417.57 g/mol
LogP4.09
Rot. Bonds13

About N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide

N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide (PubChem CID 130367174) has the molecular formula C23H31NO4S and a molecular weight of 417.57 g/mol. Its IUPAC name is N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide
PubChem CID130367174
Molecular FormulaC23H31NO4S
Molecular Weight417.57 g/mol
Exact Mass417.20
IUPAC NameN,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide
SMILESC=CCCCS(=O)(=O)N(CCc1ccc(OC)cc1)CCc1ccc(OC)cc1
InChIInChI=1S/C23H31NO4S/c1-4-5-6-19-29(25,26)24(17-15-20-7-11-22(27-2)12-8-20)18-16-21-9-13-23(28-3)14-10-21/h4,7-14H,1,5-6,15-19H2,2-3H3
InChIKeyPNXQZGQJADWHRW-UHFFFAOYSA-N
XLogP4.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-2-hydroxyiminoethyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 71531694
1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
CID 146494478
2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
CID 130367829
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
(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
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497082
1-but-3-enylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 86779442
2-[but-3-enyl-(4-methoxyphenyl)sulfamoyl]acetic acid
CID 89249095
methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate
CID 71344369
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide?
The IUPAC name of N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide (CID 130367174) is N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide.
What is the SMILES notation for N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide?
The canonical SMILES for N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide is C=CCCCS(=O)(=O)N(CCc1ccc(OC)cc1)CCc1ccc(OC)cc1.
What is the InChIKey of N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide?
The InChIKey is PNXQZGQJADWHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4S/c1-4-5-6-19-29(25,26)24(17-15-20-7-11-22(27-2)12-8-20)18-16-21-9-13-23(28-3)14-10-21/h4,7-14H,1,5-6,15-19H2,2-3H3.
What are the key properties of N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide?
N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide has a molecular weight of 417.57 g/mol, XLogP of 4.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide is sourced from PubChem (CID 130367174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).