2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid

C13H14Cl2N2O3S — CID 66443337

IUPAC2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-7-9(17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19)
InChIKeyJSUZRBVVDNDQOI-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.42
Rot. Bonds3

About 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid

2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66443337) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
PubChem CID66443337
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-7-9(17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19)
InChIKeyJSUZRBVVDNDQOI-UHFFFAOYSA-N
XLogP3.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(hydroxymethyl)thiomorpholine-4-carboxamide
CID 75437498
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444323
2-[4-[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]thiomorpholin-3-yl]acetic acid
CID 119210294
2-[4-(4-chloro-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445815
2-[4-[(2-cyanophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443344
2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-[3-(3-chlorophenyl)prop-2-enoyl]thiomorpholin-3-yl]acetic acid
CID 77134280
2-[4-(2-chloro-5-hydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 106500352
2-[4-[(3-methylsulfanylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444509
2-[4-[(5-methyl-3-pyridinyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107586090
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-[(1-methylpyrazol-4-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66445704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid (CID 66443337) is 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is JSUZRBVVDNDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c14-8-1-2-11(10(15)5-8)16-13(20)17-3-4-21-7-9(17)6-12(18)19/h1-2,5,9H,3-4,6-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 349.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).