2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C21H25ClN2O2S — CID 31446247

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2S/c22-20-4-2-1-3-19(20)15-27-16-21(25)23-13-17-5-7-18(8-6-17)14-24-9-11-26-12-10-24/h1-8H,9-16H2,(H,23,25)
InChIKeyGKBIXANEQDZXJR-UHFFFAOYSA-N
MW404.96 g/mol
LogP3.72
Rot. Bonds8

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31446247) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID31446247
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSCc1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2S/c22-20-4-2-1-3-19(20)15-27-16-21(25)23-13-17-5-7-18(8-6-17)14-24-9-11-26-12-10-24/h1-8H,9-16H2,(H,23,25)
InChIKeyGKBIXANEQDZXJR-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767479
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92677932
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029720
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
2-[(3-methylphenyl)methylsulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31443488
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694567
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 31446247) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CSCc1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GKBIXANEQDZXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c22-20-4-2-1-3-19(20)15-27-16-21(25)23-13-17-5-7-18(8-6-17)14-24-9-11-26-12-10-24/h1-8H,9-16H2,(H,23,25).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 404.96 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31446247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).