5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid

C21H22ClNO4S — CID 56645611

IUPAC5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(Cl)cc2)cc1N1C(=O)COC[C@H]1C1CCCCC1
InChIInChI=1S/C21H22ClNO4S/c22-15-8-6-14(7-9-15)18-10-16(20(28-18)21(25)26)23-17(11-27-12-19(23)24)13-4-2-1-3-5-13/h6-10,13,17H,1-5,11-12H2,(H,25,26)/t17-/m0/s1
InChIKeyUXJQYJDJFCUSFZ-KRWDZBQOSA-N
MW419.93 g/mol
LogP5.08
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid

5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid (PubChem CID 56645611) has the molecular formula C21H22ClNO4S and a molecular weight of 419.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid
PubChem CID56645611
Molecular FormulaC21H22ClNO4S
Molecular Weight419.93 g/mol
Exact Mass419.10
IUPAC Name5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(Cl)cc2)cc1N1C(=O)COC[C@H]1C1CCCCC1
InChIInChI=1S/C21H22ClNO4S/c22-15-8-6-14(7-9-15)18-10-16(20(28-18)21(25)26)23-17(11-27-12-19(23)24)13-4-2-1-3-5-13/h6-10,13,17H,1-5,11-12H2,(H,25,26)/t17-/m0/s1
InChIKeyUXJQYJDJFCUSFZ-KRWDZBQOSA-N
XLogP5.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.93
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid 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

5-(4-tert-butylphenyl)-3-(2-cyclohexyl-6-oxopiperidin-1-yl)thiophene-2-carboxylic acid
CID 67208630
3-(2-cyclohexyl-6-oxopiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 67208718
3-(2-cyclohexyl-6-oxopiperidin-1-yl)-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid
CID 67208717
3-(2-cyclohexyl-4-cyclopentylsulfanyl-6-oxopiperazin-1-yl)-5-phenylthiophene-2-carboxylic acid
CID 87310425
3-[2-cyclohexyl-4-(2-fluorophenyl)sulfonyl-6-oxopiperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 66684717
3-[(2R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2-cyclohexyl-6-oxopiperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 86684770
3-[2-cyclohexyl-6-oxo-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 118292168
3-[2-cyclohexyl-4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-6-oxopiperazin-1-yl]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 77241183
3-[(2R)-2-cyclohexyl-4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-6-oxopiperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 56645400
3-[2-cyclohexyl-6-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazin-1-yl]-5-(4-methylphenyl)thiophene-2-carboxylic acid
CID 77241229
methyl 3-(2-cyclohexyl-4-hydroxy-6-oxopiperidin-1-yl)-5-phenylthiophene-2-carboxylate
CID 66685247
3-[(2R)-2-cyclohexyl-4-[[6-(1,4-oxazepan-4-yl)-3-pyridinyl]sulfonyl]-6-oxopiperazin-1-yl]-5-(4-methylphenyl)thiophene-2-carboxylic acid
CID 67208634

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid (CID 56645611) is 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccc(Cl)cc2)cc1N1C(=O)COC[C@H]1C1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid?
The InChIKey is UXJQYJDJFCUSFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22ClNO4S/c22-15-8-6-14(7-9-15)18-10-16(20(28-18)21(25)26)23-17(11-27-12-19(23)24)13-4-2-1-3-5-13/h6-10,13,17H,1-5,11-12H2,(H,25,26)/t17-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid?
5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid has a molecular weight of 419.93 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 56645611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).