2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide

C10H19N3O4S — CID 107769824

IUPAC2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESCOCCNC(=O)CNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C10H19N3O4S/c1-7(14)13-8(6-18)10(16)12-5-9(15)11-3-4-17-2/h8,18H,3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,14)
InChIKeyIFRRLBTVPCNTHU-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.70
Rot. Bonds8

About 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide

2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 107769824) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
PubChem CID107769824
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESCOCCNC(=O)CNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C10H19N3O4S/c1-7(14)13-8(6-18)10(16)12-5-9(15)11-3-4-17-2/h8,18H,3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,14)
InChIKeyIFRRLBTVPCNTHU-UHFFFAOYSA-N
XLogP-1.70
TPSA96.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769839
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
S-[2-[(2-acetamido-3-sulfanylpropanoyl)amino]ethyl] ethanethioate
CID 22253947
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
CID 107768933
(2S)-2-acetamido-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]pentanamide
CID 155589290
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2S)-3-hydroxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405676
(2R)-2-[[2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-sulfanylpropanamide
CID 100984105
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide (CID 107769824) is 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide is COCCNC(=O)CNC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The InChIKey is IFRRLBTVPCNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-7(14)13-8(6-18)10(16)12-5-9(15)11-3-4-17-2/h8,18H,3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,14).
What are the key properties of 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide?
2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of -1.70, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107769824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).