N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide

C21H24N2O2S — CID 7407234

IUPACN-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-9-11-16(12-10-15)20(24)23-19(14-18-8-5-13-26-18)21(25)22-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)/b19-14-
InChIKeyQZPRRNYPEMOTCZ-RGEXLXHISA-N
MW368.50 g/mol
LogP4.28
Rot. Bonds5

About N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 7407234) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
PubChem CID7407234
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-9-11-16(12-10-15)20(24)23-19(14-18-8-5-13-26-18)21(25)22-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)/b19-14-
InChIKeyQZPRRNYPEMOTCZ-RGEXLXHISA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide (CID 7407234) is N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is QZPRRNYPEMOTCZ-RGEXLXHISA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-9-11-16(12-10-15)20(24)23-19(14-18-8-5-13-26-18)21(25)22-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,22,25)(H,23,24)/b19-14-.
What are the key properties of N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(cyclohexylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 7407234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).