(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide

C18H34N4O8S — CID 121419492

IUPAC(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@H](CS)C(N)=O
InChIInChI=1S/C18H34N4O8S/c1-2-15(23)20-3-5-27-7-9-29-11-16(24)21-4-6-28-8-10-30-12-17(25)22-14(13-31)18(19)26/h14,31H,2-13H2,1H3,(H2,19,26)(H,20,23)(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyAWWNOJSIMPCJOE-CQSZACIVSA-N
MW466.56 g/mol
LogP-2.40
Rot. Bonds20

About (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide

(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide (PubChem CID 121419492) has the molecular formula C18H34N4O8S and a molecular weight of 466.56 g/mol. Its IUPAC name is (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
PubChem CID121419492
Molecular FormulaC18H34N4O8S
Molecular Weight466.56 g/mol
Exact Mass466.21
IUPAC Name(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@H](CS)C(N)=O
InChIInChI=1S/C18H34N4O8S/c1-2-15(23)20-3-5-27-7-9-29-11-16(24)21-4-6-28-8-10-30-12-17(25)22-14(13-31)18(19)26/h14,31H,2-13H2,1H3,(H2,19,26)(H,20,23)(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyAWWNOJSIMPCJOE-CQSZACIVSA-N
XLogP-2.40
TPSA167.31 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide 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

22-[2-[2-[2-[2-[2-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-22-oxodocosanoic acid
CID 169324177
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
N-[2-[2-[2-[2-[2-[2-(dimethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134469535
18-[[(1S)-4-[2-[2-[2-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88941739
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
(2R)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 130368722
N-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxymethyl]propanamide
CID 137465988
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
5-[2-[2-[2-[2-[2-[2-[[1-carboxy-5-(propanoylamino)pentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 88913068
2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide
CID 123586058
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide?
The IUPAC name of (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide (CID 121419492) is (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide?
The canonical SMILES for (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide is CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@H](CS)C(N)=O.
What is the InChIKey of (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide?
The InChIKey is AWWNOJSIMPCJOE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H34N4O8S/c1-2-15(23)20-3-5-27-7-9-29-11-16(24)21-4-6-28-8-10-30-12-17(25)22-14(13-31)18(19)26/h14,31H,2-13H2,1H3,(H2,19,26)(H,20,23)(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide?
(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide has a molecular weight of 466.56 g/mol, XLogP of -2.40, 20 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide is sourced from PubChem (CID 121419492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).