N-butan-2-yl-2-phenylsulfanylpropanamide

C13H19NOS — CID 2891128

IUPACN-butan-2-yl-2-phenylsulfanylpropanamide
SMILESCCC(C)NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-10(2)14-13(15)11(3)16-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChIKeyWLVDRMQRKPXISS-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds5

About N-butan-2-yl-2-phenylsulfanylpropanamide

N-butan-2-yl-2-phenylsulfanylpropanamide (PubChem CID 2891128) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-butan-2-yl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-phenylsulfanylpropanamide
PubChem CID2891128
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-butan-2-yl-2-phenylsulfanylpropanamide
SMILESCCC(C)NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-10(2)14-13(15)11(3)16-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChIKeyWLVDRMQRKPXISS-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-phenylsulfanylpropanamide 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-butan-2-yl-2-phenylsulfanylpropanamide?
The IUPAC name of N-butan-2-yl-2-phenylsulfanylpropanamide (CID 2891128) is N-butan-2-yl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-butan-2-yl-2-phenylsulfanylpropanamide is CCC(C)NC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-butan-2-yl-2-phenylsulfanylpropanamide?
The InChIKey is WLVDRMQRKPXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-10(2)14-13(15)11(3)16-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-phenylsulfanylpropanamide?
N-butan-2-yl-2-phenylsulfanylpropanamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2891128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).