2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide

C11H22N2O3S — CID 107769713

IUPAC2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide
SMILESCCC(CCO)CNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C11H22N2O3S/c1-3-9(4-5-14)6-12-11(16)10(7-17)13-8(2)15/h9-10,14,17H,3-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyCDFGJJKZXPTRDQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.05
Rot. Bonds8

About 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide

2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide (PubChem CID 107769713) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide
PubChem CID107769713
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide
SMILESCCC(CCO)CNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C11H22N2O3S/c1-3-9(4-5-14)6-12-11(16)10(7-17)13-8(2)15/h9-10,14,17H,3-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyCDFGJJKZXPTRDQ-UHFFFAOYSA-N
XLogP-0.05
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
2-acetamido-N-[(1-ethylcyclopentyl)methyl]-3-sulfanylpropanamide
CID 114126114
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
CID 156690182
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
S-[2-[(2-acetamido-3-sulfanylpropanoyl)amino]ethyl] ethanethioate
CID 22253947

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide (CID 107769713) is 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide is CCC(CCO)CNC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide?
The InChIKey is CDFGJJKZXPTRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-9(4-5-14)6-12-11(16)10(7-17)13-8(2)15/h9-10,14,17H,3-7H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide?
2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide has a molecular weight of 262.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-ethyl-4-hydroxybutyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).