(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide

C14H19NO2S — CID 143043731

IUPAC(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H19NO2S/c1-10(2)8-13(11(3)16)15-14(17)5-4-12-6-7-18-9-12/h4-7,9-10,13H,8H2,1-3H3,(H,15,17)/b5-4+/t13-/m1/s1
InChIKeyYCIHBDBULKOOQE-MUBLQREKSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds6

About (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 143043731) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide
PubChem CID143043731
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H19NO2S/c1-10(2)8-13(11(3)16)15-14(17)5-4-12-6-7-18-9-12/h4-7,9-10,13H,8H2,1-3H3,(H,15,17)/b5-4+/t13-/m1/s1
InChIKeyYCIHBDBULKOOQE-MUBLQREKSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
methyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoate
CID 43422745
2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43170142
methyl (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
CID 6449731
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,4-dimethylpentanamide
CID 115342997
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 171136942
2,3-dimethyl-2-(3-thiophen-3-ylprop-2-enoylamino)butanoic acid
CID 91943970
(2R)-2-[3-(3-fluorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975626
methyl (2R)-4-methyl-2-(3-thiophen-2-ylprop-2-enoylamino)pentanoate
CID 91536082
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975676
(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide
CID 55782625

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide (CID 143043731) is (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide is CC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is YCIHBDBULKOOQE-MUBLQREKSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)8-13(11(3)16)15-14(17)5-4-12-6-7-18-9-12/h4-7,9-10,13H,8H2,1-3H3,(H,15,17)/b5-4+/t13-/m1/s1.
What are the key properties of (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 265.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 143043731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).