N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C19H24ClN3O3S — CID 55609844

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H24ClN3O3S/c1-14-13-27-19(25)23(14)7-6-18(24)21-12-17(22-8-10-26-11-9-22)15-4-2-3-5-16(15)20/h2-5,13,17H,6-12H2,1H3,(H,21,24)
InChIKeyALOFDNFKCKVUHO-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 55609844) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID55609844
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H24ClN3O3S/c1-14-13-27-19(25)23(14)7-6-18(24)21-12-17(22-8-10-26-11-9-22)15-4-2-3-5-16(15)20/h2-5,13,17H,6-12H2,1H3,(H,21,24)
InChIKeyALOFDNFKCKVUHO-UHFFFAOYSA-N
XLogP2.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18148622
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 55609844) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is ALOFDNFKCKVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-14-13-27-19(25)23(14)7-6-18(24)21-12-17(22-8-10-26-11-9-22)15-4-2-3-5-16(15)20/h2-5,13,17H,6-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 409.94 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 55609844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).