5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

C18H19NO4S — CID 119186209

IUPAC5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1C1CN(C(=O)c2ccc(C(=O)O)s2)C(C)CO1
InChIInChI=1S/C18H19NO4S/c1-11-5-3-4-6-13(11)14-9-19(12(2)10-23-14)17(20)15-7-8-16(24-15)18(21)22/h3-8,12,14H,9-10H2,1-2H3,(H,21,22)
InChIKeyBFORTBKNHJGZAQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds3

About 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (PubChem CID 119186209) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
PubChem CID119186209
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1C1CN(C(=O)c2ccc(C(=O)O)s2)C(C)CO1
InChIInChI=1S/C18H19NO4S/c1-11-5-3-4-6-13(11)14-9-19(12(2)10-23-14)17(20)15-7-8-16(24-15)18(21)22/h3-8,12,14H,9-10H2,1-2H3,(H,21,22)
InChIKeyBFORTBKNHJGZAQ-UHFFFAOYSA-N
XLogP3.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]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-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
CID 124873677
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
CID 119798520
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71999082

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (CID 119186209) is 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is Cc1ccccc1C1CN(C(=O)c2ccc(C(=O)O)s2)C(C)CO1.
What is the InChIKey of 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is BFORTBKNHJGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-11-5-3-4-6-13(11)14-9-19(12(2)10-23-14)17(20)15-7-8-16(24-15)18(21)22/h3-8,12,14H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).