N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide

C21H22ClN3O2S — CID 51938682

IUPACN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
SMILESN#CCSc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C21H22ClN3O2S/c22-18-7-3-1-5-16(18)19(25-10-12-27-13-11-25)15-24-21(26)17-6-2-4-8-20(17)28-14-9-23/h1-8,19H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyRROQQXLZEVBSOV-IBGZPJMESA-N
MW415.95 g/mol
LogP3.76
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide (PubChem CID 51938682) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
PubChem CID51938682
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
SMILESN#CCSc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C21H22ClN3O2S/c22-18-7-3-1-5-16(18)19(25-10-12-27-13-11-25)15-24-21(26)17-6-2-4-8-20(17)28-14-9-23/h1-8,19H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyRROQQXLZEVBSOV-IBGZPJMESA-N
XLogP3.76
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide 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

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60509719
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
CID 55635550
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide (CID 51938682) is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide is N#CCSc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide?
The InChIKey is RROQQXLZEVBSOV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c22-18-7-3-1-5-16(18)19(25-10-12-27-13-11-25)15-24-21(26)17-6-2-4-8-20(17)28-14-9-23/h1-8,19H,10-15H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide?
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide has a molecular weight of 415.95 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide is sourced from PubChem (CID 51938682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).