N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

C16H20ClN3O4S — CID 24608455

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O4S/c1-10(13-6-5-7-14(17)8-13)18-15(21)9-20(4)25(22,23)16-11(2)19-24-12(16)3/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyXCHMNKJSEJBBAZ-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide

N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 24608455) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID24608455
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O4S/c1-10(13-6-5-7-14(17)8-13)18-15(21)9-20(4)25(22,23)16-11(2)19-24-12(16)3/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyXCHMNKJSEJBBAZ-UHFFFAOYSA-N
XLogP2.44
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9181600
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 18082112
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546094
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 94090708
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27687532
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 18195335

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide (CID 24608455) is N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is XCHMNKJSEJBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-10(13-6-5-7-14(17)8-13)18-15(21)9-20(4)25(22,23)16-11(2)19-24-12(16)3/h5-8,10H,9H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 385.87 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 24608455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).