2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C22H27ClN2O3S — CID 42910246

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-16(29-20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-28-14-12-25)17-3-7-19(27-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)
InChIKeyNYBKVJIUTSLXQL-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 42910246) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID42910246
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-16(29-20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-28-14-12-25)17-3-7-19(27-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)
InChIKeyNYBKVJIUTSLXQL-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide 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

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 24647045
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 55438971
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589313

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 42910246) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is NYBKVJIUTSLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16(29-20-9-5-18(23)6-10-20)22(26)24-15-21(25-11-13-28-14-12-25)17-3-7-19(27-2)8-4-17/h3-10,16,21H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 434.99 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 42910246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).