N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide

C31H40N2O4S — CID 54395800

IUPACN-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide
SMILESCCC(=C(c1ccc(N(CCN(CC)CC)S(C)(=O)=O)cc1)c1cccc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C31H40N2O4S/c1-7-30(24-15-19-28(36-4)20-16-24)31(26-11-10-12-29(23-26)37-5)25-13-17-27(18-14-25)33(38(6,34)35)22-21-32(8-2)9-3/h10-20,23H,7-9,21-22H2,1-6H3
InChIKeyVJVLYVXHMXNHSY-UHFFFAOYSA-N
MW536.74 g/mol
LogP6.18
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide

N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide (PubChem CID 54395800) has the molecular formula C31H40N2O4S and a molecular weight of 536.74 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide
PubChem CID54395800
Molecular FormulaC31H40N2O4S
Molecular Weight536.74 g/mol
Exact Mass536.27
IUPAC NameN-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide
SMILESCCC(=C(c1ccc(N(CCN(CC)CC)S(C)(=O)=O)cc1)c1cccc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C31H40N2O4S/c1-7-30(24-15-19-28(36-4)20-16-24)31(26-11-10-12-29(23-26)37-5)25-13-17-27(18-14-25)33(38(6,34)35)22-21-32(8-2)9-3/h10-20,23H,7-9,21-22H2,1-6H3
InChIKeyVJVLYVXHMXNHSY-UHFFFAOYSA-N
XLogP6.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-N-[3-[2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]methanesulfonamide
CID 54446236
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511235
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925
N-ethyl-3-(3-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144633
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide (CID 54395800) is N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide is CCC(=C(c1ccc(N(CCN(CC)CC)S(C)(=O)=O)cc1)c1cccc(OC)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide?
The InChIKey is VJVLYVXHMXNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O4S/c1-7-30(24-15-19-28(36-4)20-16-24)31(26-11-10-12-29(23-26)37-5)25-13-17-27(18-14-25)33(38(6,34)35)22-21-32(8-2)9-3/h10-20,23H,7-9,21-22H2,1-6H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide?
N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide has a molecular weight of 536.74 g/mol, XLogP of 6.18, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[4-[1-(3-methoxyphenyl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 54395800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).