N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide

C20H26N2O4S — CID 174401961

IUPACN-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C=CN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H26N2O4S/c1-22(14-12-17-7-10-19(25-2)20(15-17)26-3)13-11-16-5-8-18(9-6-16)21-27(4,23)24/h5-10,12,14-15,21H,11,13H2,1-4H3
InChIKeyPVMZPPXTSSSRNA-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.22
Rot. Bonds9

About N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 174401961) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID174401961
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(C=CN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H26N2O4S/c1-22(14-12-17-7-10-19(25-2)20(15-17)26-3)13-11-16-5-8-18(9-6-16)21-27(4,23)24/h5-10,12,14-15,21H,11,13H2,1-4H3
InChIKeyPVMZPPXTSSSRNA-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 15072509
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]ethoxy]-3-fluorophenyl]methanesulfonamide
CID 18789985
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210
N-[4-[3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 76878528
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89121058
N-(4-butoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(methanesulfonamido)benzamide
CID 19855912
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide (CID 174401961) is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide is COc1ccc(C=CN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is PVMZPPXTSSSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-22(14-12-17-7-10-19(25-2)20(15-17)26-3)13-11-16-5-8-18(9-6-16)21-27(4,23)24/h5-10,12,14-15,21H,11,13H2,1-4H3.
What are the key properties of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethenyl-methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 174401961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).