N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C21H27N3O3S — CID 48626554

IUPACN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H27N3O3S/c25-21(17-28-16-19-5-1-2-7-22-19)23-15-18-4-3-6-20(14-18)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13,15-17H2,(H,23,25)
InChIKeyVQCBWURZVXDAHF-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.34
Rot. Bonds10

About N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 48626554) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID48626554
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccccn1)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H27N3O3S/c25-21(17-28-16-19-5-1-2-7-22-19)23-15-18-4-3-6-20(14-18)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13,15-17H2,(H,23,25)
InChIKeyVQCBWURZVXDAHF-UHFFFAOYSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48693432
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 60590474
5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48626846
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 48626554) is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccccn1)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is VQCBWURZVXDAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-21(17-28-16-19-5-1-2-7-22-19)23-15-18-4-3-6-20(14-18)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13,15-17H2,(H,23,25).
What are the key properties of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 48626554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).