N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide

C19H24ClN3O3S — CID 24982537

IUPACN-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(9-18(24)21-17-8-15(20)7-6-12(17)2)19(25)11-27-10-16-13(3)22-26-14(16)4/h6-8H,5,9-11H2,1-4H3,(H,21,24)
InChIKeyPIDISLXMTUFOBY-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.97
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide (PubChem CID 24982537) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
PubChem CID24982537
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(9-18(24)21-17-8-15(20)7-6-12(17)2)19(25)11-27-10-16-13(3)22-26-14(16)4/h6-8H,5,9-11H2,1-4H3,(H,21,24)
InChIKeyPIDISLXMTUFOBY-UHFFFAOYSA-N
XLogP3.97
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide (CID 24982537) is N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSCc1c(C)noc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The InChIKey is PIDISLXMTUFOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-5-23(9-18(24)21-17-8-15(20)7-6-12(17)2)19(25)11-27-10-16-13(3)22-26-14(16)4/h6-8H,5,9-11H2,1-4H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide has a molecular weight of 409.94 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide is sourced from PubChem (CID 24982537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).