N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide

C13H18N2O3S — CID 166429377

IUPACN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-13(16)15(2)10-9-11-5-7-12(8-6-11)14-19(3,17)18/h4-8,14H,1,9-10H2,2-3H3
InChIKeyPLBRDWIFCSGXLD-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide

N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide (PubChem CID 166429377) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
PubChem CID166429377
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-13(16)15(2)10-9-11-5-7-12(8-6-11)14-19(3,17)18/h4-8,14H,1,9-10H2,2-3H3
InChIKeyPLBRDWIFCSGXLD-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156
N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
CID 143892707
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 31245132
N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
CID 174389661

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide (CID 166429377) is N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide?
The InChIKey is PLBRDWIFCSGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-13(16)15(2)10-9-11-5-7-12(8-6-11)14-19(3,17)18/h4-8,14H,1,9-10H2,2-3H3.
What are the key properties of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide?
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).