2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C17H27NOS — CID 133244491

IUPAC2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27NOS/c1-13(20-14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11,13H,12H2,1-6H3,(H,18,19)
InChIKeyIVKVIMSXLYCXQD-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.50
Rot. Bonds5

About 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 133244491) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID133244491
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27NOS/c1-13(20-14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11,13H,12H2,1-6H3,(H,18,19)
InChIKeyIVKVIMSXLYCXQD-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-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

Related Compounds

(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
CID 111483364
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 133244491) is 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(Sc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is IVKVIMSXLYCXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13(20-14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11,13H,12H2,1-6H3,(H,18,19).
What are the key properties of 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 293.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 133244491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).