[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate

C19H19Cl2NO3S — CID 59942316

IUPAC[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate
SMILESCC1(C(=O)Nc2ccc(OC(=O)c3cccs3)c(Cl)c2Cl)CCCCC1
InChIInChI=1S/C19H19Cl2NO3S/c1-19(9-3-2-4-10-19)18(24)22-12-7-8-13(16(21)15(12)20)25-17(23)14-6-5-11-26-14/h5-8,11H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyUCYFLKAODHHPKU-UHFFFAOYSA-N
MW412.34 g/mol
LogP6.18
Rot. Bonds4

About [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate

[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate (PubChem CID 59942316) has the molecular formula C19H19Cl2NO3S and a molecular weight of 412.34 g/mol. Its IUPAC name is [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate
PubChem CID59942316
Molecular FormulaC19H19Cl2NO3S
Molecular Weight412.34 g/mol
Exact Mass411.05
IUPAC Name[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate
SMILESCC1(C(=O)Nc2ccc(OC(=O)c3cccs3)c(Cl)c2Cl)CCCCC1
InChIInChI=1S/C19H19Cl2NO3S/c1-19(9-3-2-4-10-19)18(24)22-12-7-8-13(16(21)15(12)20)25-17(23)14-6-5-11-26-14/h5-8,11H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyUCYFLKAODHHPKU-UHFFFAOYSA-N
XLogP6.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.34
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate 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

[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 59942309
methyl N-[[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenoxy]methyl]-N-methylcarbamate
CID 59942319
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
CID 174612601
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-thiophen-2-ylethanethioate
CID 22956225
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680

Frequently Asked Questions

What is the IUPAC name of [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate?
The IUPAC name of [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate (CID 59942316) is [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate is CC1(C(=O)Nc2ccc(OC(=O)c3cccs3)c(Cl)c2Cl)CCCCC1.
What is the InChIKey of [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate?
The InChIKey is UCYFLKAODHHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3S/c1-19(9-3-2-4-10-19)18(24)22-12-7-8-13(16(21)15(12)20)25-17(23)14-6-5-11-26-14/h5-8,11H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate?
[2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate has a molecular weight of 412.34 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dichloro-4-[(1-methylcyclohexanecarbonyl)amino]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 59942316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).