2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H21N3O3S2 — CID 24818021

IUPAC2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCSc1ccc(CN(C)C(=O)CSCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-12-8-15(19-23-12)18-16(21)10-25-11-17(22)20(2)9-13-4-6-14(24-3)7-5-13/h4-8H,9-11H2,1-3H3,(H,18,19,21)
InChIKeyMIHKSMILBHVEDY-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.04
Rot. Bonds8

About 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24818021) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24818021
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCSc1ccc(CN(C)C(=O)CSCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-12-8-15(19-23-12)18-16(21)10-25-11-17(22)20(2)9-13-4-6-14(24-3)7-5-13/h4-8H,9-11H2,1-3H3,(H,18,19,21)
InChIKeyMIHKSMILBHVEDY-UHFFFAOYSA-N
XLogP3.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24818021) is 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CSc1ccc(CN(C)C(=O)CSCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MIHKSMILBHVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-8-15(19-23-12)18-16(21)10-25-11-17(22)20(2)9-13-4-6-14(24-3)7-5-13/h4-8H,9-11H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24818021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).