2-(2-methylsulfanylanilino)-N-propylpropanamide

C13H20N2OS — CID 113219250

IUPAC2-(2-methylsulfanylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccccc1SC
InChIInChI=1S/C13H20N2OS/c1-4-9-14-13(16)10(2)15-11-7-5-6-8-12(11)17-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyPUTXIMMLKCTNGY-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-methylsulfanylanilino)-N-propylpropanamide

2-(2-methylsulfanylanilino)-N-propylpropanamide (PubChem CID 113219250) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-methylsulfanylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-methylsulfanylanilino)-N-propylpropanamide
PubChem CID113219250
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-methylsulfanylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccccc1SC
InChIInChI=1S/C13H20N2OS/c1-4-9-14-13(16)10(2)15-11-7-5-6-8-12(11)17-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyPUTXIMMLKCTNGY-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
N-propyl-2-(quinolin-4-ylamino)propanamide
CID 61480226
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
diethyl 2-(2-methylsulfanylanilino)propanedioate
CID 15142020
2-[2-(difluoromethylsulfanyl)anilino]-N-(2-methoxyethyl)propanamide
CID 43088935
2-[3-(methylamino)-2-nitroanilino]-N-propylpropanamide
CID 80800878
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylanilino)-N-propylpropanamide?
The IUPAC name of 2-(2-methylsulfanylanilino)-N-propylpropanamide (CID 113219250) is 2-(2-methylsulfanylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(2-methylsulfanylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(2-methylsulfanylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccccc1SC.
What is the InChIKey of 2-(2-methylsulfanylanilino)-N-propylpropanamide?
The InChIKey is PUTXIMMLKCTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-9-14-13(16)10(2)15-11-7-5-6-8-12(11)17-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methylsulfanylanilino)-N-propylpropanamide?
2-(2-methylsulfanylanilino)-N-propylpropanamide has a molecular weight of 252.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylanilino)-N-propylpropanamide is sourced from PubChem (CID 113219250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).