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

C11H21N3O4S — CID 107769839

IUPAC2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
SMILESCOCCNC(=O)CCNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C11H21N3O4S/c1-8(15)14-9(7-19)11(17)13-4-3-10(16)12-5-6-18-2/h9,19H,3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyITZBSEQZSFZQLE-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.31
Rot. Bonds9

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

2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide (PubChem CID 107769839) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
PubChem CID107769839
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
SMILESCOCCNC(=O)CCNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C11H21N3O4S/c1-8(15)14-9(7-19)11(17)13-4-3-10(16)12-5-6-18-2/h9,19H,3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyITZBSEQZSFZQLE-UHFFFAOYSA-N
XLogP-1.31
TPSA96.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.31
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-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
S-[2-[(2-acetamido-3-sulfanylpropanoyl)amino]ethyl] ethanethioate
CID 22253947
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
CID 107768933
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
CID 162213773
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
(2R)-2-acetamido-3-sulfanylpropanoic acid;2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide
CID 174942602

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide (CID 107769839) is 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide is COCCNC(=O)CCNC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide?
The InChIKey is ITZBSEQZSFZQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-8(15)14-9(7-19)11(17)13-4-3-10(16)12-5-6-18-2/h9,19H,3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide?
2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide has a molecular weight of 291.37 g/mol, XLogP of -1.31, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107769839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).