2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide

C24H25N3O2S — CID 24590429

IUPAC2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H25N3O2S/c28-23(26-21-11-12-22(25-17-21)27-13-15-29-16-14-27)18-30-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2,(H,26,28)
InChIKeyCITHAVIULIFXMF-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.38
Rot. Bonds7

About 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide

2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide (PubChem CID 24590429) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
PubChem CID24590429
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H25N3O2S/c28-23(26-21-11-12-22(25-17-21)27-13-15-29-16-14-27)18-30-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2,(H,26,28)
InChIKeyCITHAVIULIFXMF-UHFFFAOYSA-N
XLogP4.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770911
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
(3R)-3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-(3-phenoxyphenyl)propanamide
CID 34444234
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55498018
1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
CID 133149882
N-(6-morpholin-4-yl-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 26053246
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 17458922

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide (CID 24590429) is 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide is O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The InChIKey is CITHAVIULIFXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-23(26-21-11-12-22(25-17-21)27-13-15-29-16-14-27)18-30-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2,(H,26,28).
What are the key properties of 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 24590429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).