N-ethyl-2-phenylsulfanylpropanamide

C11H15NOS — CID 2889212

IUPACN-ethyl-2-phenylsulfanylpropanamide
SMILESCCNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)
InChIKeyCKTULYXYWWQWEU-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-2-phenylsulfanylpropanamide

N-ethyl-2-phenylsulfanylpropanamide (PubChem CID 2889212) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-phenylsulfanylpropanamide
PubChem CID2889212
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-ethyl-2-phenylsulfanylpropanamide
SMILESCCNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)
InChIKeyCKTULYXYWWQWEU-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-ethyl-2-phenylsulfanylpropanamide (CID 2889212) is N-ethyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-ethyl-2-phenylsulfanylpropanamide is CCNC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-ethyl-2-phenylsulfanylpropanamide?
The InChIKey is CKTULYXYWWQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-2-phenylsulfanylpropanamide?
N-ethyl-2-phenylsulfanylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2889212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).