(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide

C15H21NO3S — CID 11808580

IUPAC(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide
SMILESCc1ccc(S(=O)(=O)/C=C/CCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO3S/c1-12(2)16-15(17)6-4-5-11-20(18,19)14-9-7-13(3)8-10-14/h5,7-12H,4,6H2,1-3H3,(H,16,17)/b11-5+
InChIKeyGAAYFMHEONFIQX-VZUCSPMQSA-N
MW295.40 g/mol
LogP2.59
Rot. Bonds6

About (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide

(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide (PubChem CID 11808580) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide
PubChem CID11808580
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide
SMILESCc1ccc(S(=O)(=O)/C=C/CCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H21NO3S/c1-12(2)16-15(17)6-4-5-11-20(18,19)14-9-7-13(3)8-10-14/h5,7-12H,4,6H2,1-3H3,(H,16,17)/b11-5+
InChIKeyGAAYFMHEONFIQX-VZUCSPMQSA-N
XLogP2.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
CID 12578443
(E)-1-cyclohexyl-5-(4-methylphenyl)sulfonylpent-4-en-1-ol
CID 15358136
(E)-2,2-dimethyl-8-(4-methylphenyl)sulfonyloct-7-en-3-ol
CID 15358133
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
N-but-3-enyl-N'-[4-(4-methylphenyl)sulfonylbut-3-enyl]butane-1,4-diamine
CID 67936482
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
(E,3S)-1-(4-methylphenyl)sulfonylhex-1-en-3-ol
CID 15727628

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide?
The IUPAC name of (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide (CID 11808580) is (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide is Cc1ccc(S(=O)(=O)/C=C/CCC(=O)NC(C)C)cc1.
What is the InChIKey of (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide?
The InChIKey is GAAYFMHEONFIQX-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12(2)16-15(17)6-4-5-11-20(18,19)14-9-7-13(3)8-10-14/h5,7-12H,4,6H2,1-3H3,(H,16,17)/b11-5+.
What are the key properties of (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide?
(E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide has a molecular weight of 295.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methylphenyl)sulfonyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 11808580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).