3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide

C18H20N2O3S — CID 47062841

IUPAC3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)12-14-24(22,23)20(13-11-18(19)21)17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H2,19,21)/b14-12+
InChIKeyIQTZHXBVGQXNPA-WYMLVPIESA-N
MW344.44 g/mol
LogP2.68
Rot. Bonds7

About 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide

3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide (PubChem CID 47062841) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide.

Molecular Properties

Compound Name3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
PubChem CID47062841
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)12-14-24(22,23)20(13-11-18(19)21)17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H2,19,21)/b14-12+
InChIKeyIQTZHXBVGQXNPA-WYMLVPIESA-N
XLogP2.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
3-(N-(2-bromo-4-methylphenyl)sulfonylanilino)propanamide
CID 38893058
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
CID 38893159
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174
2-[(2-amino-2-oxoethyl)-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 107435617
3-(N-(3,5-difluorophenyl)sulfonylanilino)propanamide
CID 38893186
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(E)-2-(2-chlorophenyl)-N-(2-oxopropyl)-N-phenylethenesulfonamide
CID 158098836
2-(N-(3-amino-3-oxopropyl)-4-methylanilino)acetic acid
CID 60839570
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661

Frequently Asked Questions

What is the IUPAC name of 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide?
The IUPAC name of 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide (CID 47062841) is 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide.
What is the SMILES notation for 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide?
The canonical SMILES for 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide is Cc1ccc(/C=C/S(=O)(=O)N(CCC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide?
The InChIKey is IQTZHXBVGQXNPA-WYMLVPIESA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)12-14-24(22,23)20(13-11-18(19)21)17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H2,19,21)/b14-12+.
What are the key properties of 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide?
3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[(E)-2-(4-methylphenyl)ethenyl]sulfonylanilino)propanamide is sourced from PubChem (CID 47062841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).