3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C24H18Cl2F3N3O2S — CID 58022845

IUPAC3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILES[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2F3N3O2S/c1-30-20-19(17-7-6-16(25)12-18(17)26)21(35-23(20)32-8-10-34-11-9-32)22(33)31-13-14-2-4-15(5-3-14)24(27,28)29/h2-7,12H,8-11,13H2,(H,31,33)
InChIKeyRYXIOXUXSUBGHO-UHFFFAOYSA-N
MW540.39 g/mol
LogP7.06
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 58022845) has the molecular formula C24H18Cl2F3N3O2S and a molecular weight of 540.39 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID58022845
Molecular FormulaC24H18Cl2F3N3O2S
Molecular Weight540.39 g/mol
Exact Mass539.04
IUPAC Name3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILES[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2F3N3O2S/c1-30-20-19(17-7-6-16(25)12-18(17)26)21(35-23(20)32-8-10-34-11-9-32)22(33)31-13-14-2-4-15(5-3-14)24(27,28)29/h2-7,12H,8-11,13H2,(H,31,33)
InChIKeyRYXIOXUXSUBGHO-UHFFFAOYSA-N
XLogP7.06
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.39
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide 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

4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 44155119
4-cyano-3-(2,4-dichlorophenyl)-N-(2-fluoroethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 44155447
3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 58022863
3-(2,4-dichlorophenyl)-N-(2-fluoroethyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxamide
CID 58022869
3-(2,4-Dichlorophenyl)-5-[2-(fluoromethyl)morpholin-4-yl]-4-isocyanothiophene-2-carboxamide
CID 59250044
3-(4-chloro-2-iodophenyl)-4-cyano-N-[[4-(fluoromethyl)phenyl]methyl]-5-morpholin-4-ylthiophene-2-carboxamide
CID 70948391
4-cyano-3-(2,4-dichlorophenyl)-5-[ethyl(2-methoxyethyl)amino]-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 88235313
4-(4-chloro-2,6-difluorophenyl)-3-isocyano-2-morpholin-4-yl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
CID 88866513
4-(4-Chloro-2,6-difluorophenyl)-3-isocyano-2-morpholin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]azepin-8-one
CID 88866514
2,4-dichloro-5-fluoro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 16563413
4-(2,4-Dichlorophenyl)-5-[2-imino-4-[4-(trifluoromethyl)phenyl]butanoyl]-2-morpholin-4-ylthiophene-3-carbonitrile
CID 162564659
N-[(4-Chlorophenyl)methyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855294

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 58022845) is 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is [C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is RYXIOXUXSUBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F3N3O2S/c1-30-20-19(17-7-6-16(25)12-18(17)26)21(35-23(20)32-8-10-34-11-9-32)22(33)31-13-14-2-4-15(5-3-14)24(27,28)29/h2-7,12H,8-11,13H2,(H,31,33).
What are the key properties of 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 540.39 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58022845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).