N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

C14H20N2O2S — CID 2999687

IUPACN-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCCNC(=O)NC(=O)C(C)SCc1ccccc1C
InChIInChI=1S/C14H20N2O2S/c1-4-15-14(18)16-13(17)11(3)19-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHUBVGRXCJREDGO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.46
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (PubChem CID 2999687) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
PubChem CID2999687
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCCNC(=O)NC(=O)C(C)SCc1ccccc1C
InChIInChI=1S/C14H20N2O2S/c1-4-15-14(18)16-13(17)11(3)19-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHUBVGRXCJREDGO-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (CID 2999687) is N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is CCNC(=O)NC(=O)C(C)SCc1ccccc1C.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is HUBVGRXCJREDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-15-14(18)16-13(17)11(3)19-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 2999687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).