N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide

C19H18ClN3O2S — CID 51254845

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O2S/c1-2-10-22(13-14-7-8-18(20)26-14)19(25)9-11-23-16-6-4-3-5-15(16)17(24)12-21-23/h2-8,12H,1,9-11,13H2
InChIKeyVBVCYTPAIYVYAL-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.72
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 51254845) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide
PubChem CID51254845
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O2S/c1-2-10-22(13-14-7-8-18(20)26-14)19(25)9-11-23-16-6-4-3-5-15(16)17(24)12-21-23/h2-8,12H,1,9-11,13H2
InChIKeyVBVCYTPAIYVYAL-UHFFFAOYSA-N
XLogP3.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-prop-2-enylacetamide
CID 36897114
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 134015424
N-[(5-chlorothiophen-2-yl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-prop-2-enylpropanamide
CID 30438087
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
CID 55488341
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide (CID 51254845) is N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is VBVCYTPAIYVYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-10-22(13-14-7-8-18(20)26-14)19(25)9-11-23-16-6-4-3-5-15(16)17(24)12-21-23/h2-8,12H,1,9-11,13H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 387.89 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-(4-oxocinnolin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 51254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).