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

C17H20ClN3O3S — CID 24819666

IUPACN-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-11-13(12(2)24-20-11)9-25-10-17(23)21(3)8-16(22)19-15-7-5-4-6-14(15)18/h4-7H,8-10H2,1-3H3,(H,19,22)
InChIKeyVJVAUHPAAORPQU-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.28
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide (PubChem CID 24819666) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide
PubChem CID24819666
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-11-13(12(2)24-20-11)9-25-10-17(23)21(3)8-16(22)19-15-7-5-4-6-14(15)18/h4-7H,8-10H2,1-3H3,(H,19,22)
InChIKeyVJVAUHPAAORPQU-UHFFFAOYSA-N
XLogP3.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide (CID 24819666) is N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide is Cc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is VJVAUHPAAORPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11-13(12(2)24-20-11)9-25-10-17(23)21(3)8-16(22)19-15-7-5-4-6-14(15)18/h4-7H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 381.89 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 24819666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).