2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C18H23N3O5S2 — CID 39951682

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O5S2/c1-13-17(14(2)26-20-13)11-27-12-18(22)19-15-4-3-5-16(10-15)28(23,24)21-6-8-25-9-7-21/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,22)
InChIKeyLSVPTDLJHVJYFM-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.18
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 39951682) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID39951682
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O5S2/c1-13-17(14(2)26-20-13)11-27-12-18(22)19-15-4-3-5-16(10-15)28(23,24)21-6-8-25-9-7-21/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,22)
InChIKeyLSVPTDLJHVJYFM-UHFFFAOYSA-N
XLogP2.18
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31766906
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 3983474
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30729564
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 17426922
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 55865738
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 42998392
2-[(3-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926182
N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 39951682) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1noc(C)c1CSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is LSVPTDLJHVJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-13-17(14(2)26-20-13)11-27-12-18(22)19-15-4-3-5-16(10-15)28(23,24)21-6-8-25-9-7-21/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 39951682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).