(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

C14H21NOS — CID 42640541

IUPAC(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)s1
InChIInChI=1S/C14H21NOS/c1-10(2)15(11(3)4)14(16)9-8-13-7-6-12(5)17-13/h6-11H,1-5H3/b9-8+
InChIKeyGPIAKILQSNTNBE-CMDGGOBGSA-N
MW251.39 g/mol
LogP3.72
Rot. Bonds4

About (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 42640541) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
PubChem CID42640541
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)s1
InChIInChI=1S/C14H21NOS/c1-10(2)15(11(3)4)14(16)9-8-13-7-6-12(5)17-13/h6-11H,1-5H3/b9-8+
InChIKeyGPIAKILQSNTNBE-CMDGGOBGSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (CID 42640541) is (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is GPIAKILQSNTNBE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)15(11(3)4)14(16)9-8-13-7-6-12(5)17-13/h6-11H,1-5H3/b9-8+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 251.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 42640541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).