(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide

C18H21NO4S2 — CID 42947447

IUPAC(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H21NO4S2/c1-15(17-9-11-18(12-10-17)24(3,20)21)19(2)25(22,23)14-13-16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
InChIKeyPRKCSVVTQAFXJR-BUHFOSPRSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds6

About (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide

(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide (PubChem CID 42947447) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
PubChem CID42947447
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H21NO4S2/c1-15(17-9-11-18(12-10-17)24(3,20)21)19(2)25(22,23)14-13-16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
InChIKeyPRKCSVVTQAFXJR-BUHFOSPRSA-N
XLogP3.08
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide
CID 51183821
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
CID 43532219
5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide
CID 55556486
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylethenesulfonamide
CID 66690789

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide (CID 42947447) is (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide?
The InChIKey is PRKCSVVTQAFXJR-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-15(17-9-11-18(12-10-17)24(3,20)21)19(2)25(22,23)14-13-16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+.
What are the key properties of (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide?
(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 42947447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).