2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C19H21N3O3S — CID 34209389

IUPAC2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-21(13-18(23)20-14-7-3-6-10-17(14)26-2)11-12-22-15-8-4-5-9-16(15)25-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyOXTZTSLBLFCTLY-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.89
Rot. Bonds7

About 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 34209389) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID34209389
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-21(13-18(23)20-14-7-3-6-10-17(14)26-2)11-12-22-15-8-4-5-9-16(15)25-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyOXTZTSLBLFCTLY-UHFFFAOYSA-N
XLogP2.89
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
CID 8005781
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16561398
2-[[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 6598968
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 34209389) is 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is OXTZTSLBLFCTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21(13-18(23)20-14-7-3-6-10-17(14)26-2)11-12-22-15-8-4-5-9-16(15)25-19(22)24/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 34209389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).