ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate

C14H17ClN2O3S — CID 23343409

IUPACethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c1-2-20-13(18)12-9-21-8-7-17(12)14(19)16-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,16,19)
InChIKeyRRVCFIUXBVDCEW-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.85
Rot. Bonds3

About ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate

ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate (PubChem CID 23343409) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate
PubChem CID23343409
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Nameethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c1-2-20-13(18)12-9-21-8-7-17(12)14(19)16-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,16,19)
InChIKeyRRVCFIUXBVDCEW-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-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

methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
ethyl 4-acetylthiomorpholine-3-carboxylate
CID 60718017
ethyl 4-(4-chloropyridine-2-carbonyl)thiomorpholine-3-carboxylate
CID 60716375
ethyl 4-(2-chloroacetyl)thiomorpholine-3-carboxylate
CID 60719108
ethyl 4-(2-chlorofuran-3-carbonyl)thiomorpholine-3-carboxylate
CID 106686228
ethyl 4-(2-amino-6-chlorobenzoyl)thiomorpholine-3-carboxylate
CID 63658424
ethyl 4-(5-amino-2-fluorobenzoyl)thiomorpholine-3-carboxylate
CID 61111666
ethyl 4-(5-bromo-2-fluorobenzoyl)thiomorpholine-3-carboxylate
CID 60718033
ethyl 4-(3-chloro-1-benzothiophene-2-carbonyl)thiomorpholine-3-carboxylate
CID 42936046
4-[(3-fluoro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904708
ethyl (3S)-4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]thiomorpholine-3-carboxylate
CID 38796944
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
CID 60737192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate (CID 23343409) is ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate?
The InChIKey is RRVCFIUXBVDCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-2-20-13(18)12-9-21-8-7-17(12)14(19)16-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,16,19).
What are the key properties of ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate?
ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate has a molecular weight of 328.82 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate is sourced from PubChem (CID 23343409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).