N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

C11H14N2O3S — CID 57203958

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O3S/c1-3-11(14)12-8-9-4-6-10(7-5-9)13-17(2,15)16/h3-7,13H,1,8H2,2H3,(H,12,14)
InChIKeyJCIFAEVSKSPINE-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.86
Rot. Bonds5

About N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide (PubChem CID 57203958) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
PubChem CID57203958
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O3S/c1-3-11(14)12-8-9-4-6-10(7-5-9)13-17(2,15)16/h3-7,13H,1,8H2,2H3,(H,12,14)
InChIKeyJCIFAEVSKSPINE-UHFFFAOYSA-N
XLogP0.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
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-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
N-[(4-anilinophenyl)methyl]prop-2-enamide
CID 57298841
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide (CID 57203958) is N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide?
The InChIKey is JCIFAEVSKSPINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-11(14)12-8-9-4-6-10(7-5-9)13-17(2,15)16/h3-7,13H,1,8H2,2H3,(H,12,14).
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide?
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide has a molecular weight of 254.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 57203958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).