2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid

C14H16ClNO4S — CID 66420368

IUPAC2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
SMILESCSc1ccc(Cl)c(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H16ClNO4S/c1-21-10-2-3-12(15)11(7-10)14(19)16-4-5-20-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18)
InChIKeyVPFTZSBJILIAJR-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66420368) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID66420368
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
SMILESCSc1ccc(Cl)c(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H16ClNO4S/c1-21-10-2-3-12(15)11(7-10)14(19)16-4-5-20-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18)
InChIKeyVPFTZSBJILIAJR-UHFFFAOYSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic 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

2-[4-(5-methylsulfanyl-2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 119248742
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid (CID 66420368) is 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid is CSc1ccc(Cl)c(C(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is VPFTZSBJILIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-21-10-2-3-12(15)11(7-10)14(19)16-4-5-20-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 329.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).