N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide

C15H18ClN3O2S — CID 166423951

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(Cl)s1)Cc1ccnn1COC
InChIInChI=1S/C15H18ClN3O2S/c1-3-15(20)18(9-7-13-4-5-14(16)22-13)10-12-6-8-17-19(12)11-21-2/h3-6,8H,1,7,9-11H2,2H3
InChIKeyRXJPSNAZUVEGAD-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide (PubChem CID 166423951) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide
PubChem CID166423951
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(Cl)s1)Cc1ccnn1COC
InChIInChI=1S/C15H18ClN3O2S/c1-3-15(20)18(9-7-13-4-5-14(16)22-13)10-12-6-8-17-19(12)11-21-2/h3-6,8H,1,7,9-11H2,2H3
InChIKeyRXJPSNAZUVEGAD-UHFFFAOYSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]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-[(5-tert-butylthiophen-2-yl)methyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 166423690
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
CID 66482946
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(2-chlorothiophen-3-yl)methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]prop-2-enamide
CID 166431556
N-[(5-chlorothiophen-2-yl)methyl]-3,4,5-trimethoxy-N-prop-2-enylbenzamide
CID 55360432
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 55246582
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide (CID 166423951) is N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide is C=CC(=O)N(CCc1ccc(Cl)s1)Cc1ccnn1COC.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide?
The InChIKey is RXJPSNAZUVEGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-15(20)18(9-7-13-4-5-14(16)22-13)10-12-6-8-17-19(12)11-21-2/h3-6,8H,1,7,9-11H2,2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide has a molecular weight of 339.85 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-N-[[2-(methoxymethyl)pyrazol-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 166423951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).