N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

C16H20N2O3S — CID 50979643

IUPACN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCc1ccc(SCCN(C)C(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12-3-6-14(7-4-12)22-10-9-18(2)16(20)8-5-13-11-15(19)17-21-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyPNWRQHFWKVHXAU-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.46
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (PubChem CID 50979643) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
PubChem CID50979643
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCc1ccc(SCCN(C)C(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12-3-6-14(7-4-12)22-10-9-18(2)16(20)8-5-13-11-15(19)17-21-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyPNWRQHFWKVHXAU-UHFFFAOYSA-N
XLogP2.46
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide 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 N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (CID 50979643) is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is Cc1ccc(SCCN(C)C(=O)CCc2cc(=O)[nH]o2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The InChIKey is PNWRQHFWKVHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-3-6-14(7-4-12)22-10-9-18(2)16(20)8-5-13-11-15(19)17-21-13/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide has a molecular weight of 320.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 50979643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).