(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide

C14H20N2O3S — CID 132561076

IUPAC(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/C(N)C(C)C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)13(15)8-9-14(17)16-20(18,19)12-6-4-11(3)5-7-12/h4-10,13H,15H2,1-3H3,(H,16,17)/b9-8+
InChIKeyDIAJMXIJTCEEAF-CMDGGOBGSA-N
MW296.39 g/mol
LogP1.34
Rot. Bonds5

About (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide

(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide (PubChem CID 132561076) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide
PubChem CID132561076
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/C(N)C(C)C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)13(15)8-9-14(17)16-20(18,19)12-6-4-11(3)5-7-12/h4-10,13H,15H2,1-3H3,(H,16,17)/b9-8+
InChIKeyDIAJMXIJTCEEAF-CMDGGOBGSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)sulfonylurea;urea
CID 160676948
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid
CID 36691003
N-[(3E)-3-bromo-5,6-dimethylhepta-1,3-dien-2-yl]-4-methylbenzenesulfonamide
CID 170049015
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
2,3-dimethylhexa-4,5-dien-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 15186598
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
methyl (Z,4R)-5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]hex-2-enoate
CID 10404064
(E)-N'-(benzenesulfonyl)but-2-enediamide
CID 22610827
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide?
The IUPAC name of (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide (CID 132561076) is (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide.
What is the SMILES notation for (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide?
The canonical SMILES for (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C=C/C(N)C(C)C)cc1.
What is the InChIKey of (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide?
The InChIKey is DIAJMXIJTCEEAF-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)13(15)8-9-14(17)16-20(18,19)12-6-4-11(3)5-7-12/h4-10,13H,15H2,1-3H3,(H,16,17)/b9-8+.
What are the key properties of (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide?
(E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide has a molecular weight of 296.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-5-methyl-N-(4-methylphenyl)sulfonylhex-2-enamide is sourced from PubChem (CID 132561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).