(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide

C15H21NOS — CID 9427568

IUPAC(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C15H21NOS/c1-12-8-9-14(18-12)10-11-15(17)16-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,17)/b11-10+
InChIKeyUWPIWBNANPIAAS-ZHACJKMWSA-N
MW263.41 g/mol
LogP3.91
Rot. Bonds3

About (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9427568) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID9427568
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C15H21NOS/c1-12-8-9-14(18-12)10-11-15(17)16-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,17)/b11-10+
InChIKeyUWPIWBNANPIAAS-ZHACJKMWSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78909471
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103860357
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 55424053
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
3-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 77037163
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037

Frequently Asked Questions

What is the IUPAC name of (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 9427568) is (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCCCCC2)s1.
What is the InChIKey of (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is UWPIWBNANPIAAS-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-8-9-14(18-12)10-11-15(17)16-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,17)/b11-10+.
What are the key properties of (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 263.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9427568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).