(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide

C19H23NO2S — CID 52697174

IUPAC(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-16(2)20(15-19-7-5-4-6-8-19)23(21,22)14-13-18-11-9-17(3)10-12-18/h4-14,16H,15H2,1-3H3/b14-13+
InChIKeyIRCWLGBICXJXHJ-BUHFOSPRSA-N
MW329.47 g/mol
LogP4.21
Rot. Bonds6

About (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide

(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide (PubChem CID 52697174) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
PubChem CID52697174
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-16(2)20(15-19-7-5-4-6-8-19)23(21,22)14-13-18-11-9-17(3)10-12-18/h4-14,16H,15H2,1-3H3/b14-13+
InChIKeyIRCWLGBICXJXHJ-BUHFOSPRSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide
CID 101100963
(E)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propan-2-ylethenesulfonamide
CID 6307053
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
CID 4193810
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
N-benzyl-4-methyl-N-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]benzenesulfonamide
CID 135074869
3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
CID 47062841
ethyl (E)-2-(dibenzylamino)-4-(4-methylphenyl)but-3-enoate
CID 135003986
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide?
The IUPAC name of (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide (CID 52697174) is (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide.
What is the SMILES notation for (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide?
The canonical SMILES for (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide?
The InChIKey is IRCWLGBICXJXHJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-16(2)20(15-19-7-5-4-6-8-19)23(21,22)14-13-18-11-9-17(3)10-12-18/h4-14,16H,15H2,1-3H3/b14-13+.
What are the key properties of (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide?
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 52697174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).