2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide

C15H24N2OS — CID 43112908

IUPAC2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cccc(SC)c1
InChIInChI=1S/C15H24N2OS/c1-5-12(6-2)17-15(18)11(3)16-13-8-7-9-14(10-13)19-4/h7-12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyIQNXQXLCQORBDE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.51
Rot. Bonds7

About 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide

2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide (PubChem CID 43112908) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
PubChem CID43112908
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cccc(SC)c1
InChIInChI=1S/C15H24N2OS/c1-5-12(6-2)17-15(18)11(3)16-13-8-7-9-14(10-13)19-4/h7-12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyIQNXQXLCQORBDE-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
CID 43085917
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
1-butan-2-yl-3-(3-methylsulfanylphenyl)urea
CID 17087558
3-(3-methylsulfanylanilino)pentanenitrile
CID 43175083
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
3-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630917
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
3-amino-4-(3-methylsulfanylanilino)-4-oxobutanoic acid
CID 64896435
1-(3-methylsulfanylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928205
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide (CID 43112908) is 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1cccc(SC)c1.
What is the InChIKey of 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide?
The InChIKey is IQNXQXLCQORBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-12(6-2)17-15(18)11(3)16-13-8-7-9-14(10-13)19-4/h7-12,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide?
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43112908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).