(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide

C17H19NOS — CID 86770622

IUPAC(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C17H19NOS/c1-14(2)18(13-15-7-4-3-5-8-15)17(19)11-10-16-9-6-12-20-16/h3-12,14H,13H2,1-2H3/b11-10+
InChIKeySJJHAHUBNCDHGC-ZHACJKMWSA-N
MW285.41 g/mol
LogP4.20
Rot. Bonds5

About (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 86770622) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID86770622
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C17H19NOS/c1-14(2)18(13-15-7-4-3-5-8-15)17(19)11-10-16-9-6-12-20-16/h3-12,14H,13H2,1-2H3/b11-10+
InChIKeySJJHAHUBNCDHGC-ZHACJKMWSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[propan-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetate
CID 54942077
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2355389
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
CID 15741719
(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
CID 98667077
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 26972999
(E)-N-[benzyl(phenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 44825151
[3-[[3-phenylprop-2-enoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate
CID 4061044
(E)-3-(1,3-benzoxazol-2-yl)-N-benzyl-N-(1-thiophen-2-ylpropan-2-yl)prop-2-enamide
CID 17437615
(E)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 32629215
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
(E)-N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 41110374

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide (CID 86770622) is (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide is CC(C)N(Cc1ccccc1)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SJJHAHUBNCDHGC-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14(2)18(13-15-7-4-3-5-8-15)17(19)11-10-16-9-6-12-20-16/h3-12,14H,13H2,1-2H3/b11-10+.
What are the key properties of (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 285.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 86770622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).