N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide

C30H38N2O2S — CID 86734353

IUPACN-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN(CC)CC)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H38N2O2S/c1-4-7-24-35(33,34)32(23-22-31(5-2)6-3)29-20-18-26(19-21-29)25-30(27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-21,25H,4-7,22-24H2,1-3H3
InChIKeyDJWLTZOEMANZOT-UHFFFAOYSA-N
MW490.71 g/mol
LogP6.55
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide

N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide (PubChem CID 86734353) has the molecular formula C30H38N2O2S and a molecular weight of 490.71 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide
PubChem CID86734353
Molecular FormulaC30H38N2O2S
Molecular Weight490.71 g/mol
Exact Mass490.27
IUPAC NameN-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN(CC)CC)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H38N2O2S/c1-4-7-24-35(33,34)32(23-22-31(5-2)6-3)29-20-18-26(19-21-29)25-30(27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-21,25H,4-7,22-24H2,1-3H3
InChIKeyDJWLTZOEMANZOT-UHFFFAOYSA-N
XLogP6.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.71
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide (CID 86734353) is N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)N(CCN(CC)CC)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide?
The InChIKey is DJWLTZOEMANZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2S/c1-4-7-24-35(33,34)32(23-22-31(5-2)6-3)29-20-18-26(19-21-29)25-30(27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-21,25H,4-7,22-24H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide?
N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide has a molecular weight of 490.71 g/mol, XLogP of 6.55, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[4-(2,2-diphenylethenyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 86734353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).