(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide

C14H21NO2S — CID 54916473

IUPAC(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C14H21NO2S/c1-11(2)15(9-4-10-16)14(17)8-7-13-6-5-12(3)18-13/h5-8,11,16H,4,9-10H2,1-3H3/b8-7+
InChIKeyDXSTUPRPIYIUCR-BQYQJAHWSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds6

About (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide

(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 54916473) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide
PubChem CID54916473
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C14H21NO2S/c1-11(2)15(9-4-10-16)14(17)8-7-13-6-5-12(3)18-13/h5-8,11,16H,4,9-10H2,1-3H3/b8-7+
InChIKeyDXSTUPRPIYIUCR-BQYQJAHWSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
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

2-[butan-2-yl-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]acetic acid
CID 60828573
(E)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 107483217
(E)-N-(3-hydroxypropyl)-3-(2-methylpyrazol-3-yl)-N-propan-2-ylprop-2-enamide
CID 54917485
3-[5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76917936
methyl 2-methyl-3-[methyl-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 55008505
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 79384496
2-[3-(5-chlorothiophen-2-yl)prop-2-enoyl-propan-2-ylamino]acetic acid
CID 76882179
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylprop-2-enamide
CID 61039442
2-[2-(dimethylamino)ethyl-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]acetic acid
CID 103802863
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 43573178
4-[[(E)-3-(2-methylphenyl)prop-2-enoyl]-propan-2-ylamino]butanoic acid
CID 60825848

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide (CID 54916473) is (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide is Cc1ccc(/C=C/C(=O)N(CCCO)C(C)C)s1.
What is the InChIKey of (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is DXSTUPRPIYIUCR-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)15(9-4-10-16)14(17)8-7-13-6-5-12(3)18-13/h5-8,11,16H,4,9-10H2,1-3H3/b8-7+.
What are the key properties of (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide?
(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 267.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 54916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).