acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide

C14H28N4O4S2 — CID 170627588

IUPACacetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCC(N)=O.CCNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NCC
InChIInChI=1S/C12H23N3O3S2.C2H5NO/c1-4-13-11(17)6-7-19-20-8-10(15-9(3)16)12(18)14-5-2;1-2(3)4/h10H,4-8H2,1-3H3,(H,13,17)(H,14,18)(H,15,16);1H3,(H2,3,4)/t10-;/m0./s1
InChIKeyDVGFCCDJJIMYIX-PPHPATTJSA-N
MW380.54 g/mol
LogP0.03
Rot. Bonds10

About acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide

acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide (PubChem CID 170627588) has the molecular formula C14H28N4O4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound Nameacetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
PubChem CID170627588
Molecular FormulaC14H28N4O4S2
Molecular Weight380.54 g/mol
Exact Mass380.16
IUPAC Nameacetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCC(N)=O.CCNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NCC
InChIInChI=1S/C12H23N3O3S2.C2H5NO/c1-4-13-11(17)6-7-19-20-8-10(15-9(3)16)12(18)14-5-2;1-2(3)4/h10H,4-8H2,1-3H3,(H,13,17)(H,14,18)(H,15,16);1H3,(H2,3,4)/t10-;/m0./s1
InChIKeyDVGFCCDJJIMYIX-PPHPATTJSA-N
XLogP0.03
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetamide;2-acetamido-3-[[2-acetamido-3-(ethylamino)-3-oxopropyl]disulfanyl]-N-ethylpropanamide;(2R)-2-acetamido-N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
CID 170627597
2-acetamido-3-(propyldisulfanyl)propanoic acid
CID 539482
ethyl (2R)-2-acetamido-3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 170627605
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide
CID 134453801
[2-acetamido-3-[(2-acetamido-3-amino-3-oxopropyl)disulfanyl]propanoyl]azanium
CID 163533382
CID 170171957
CID 170171957
N-[(2R)-1-amino-3-[[3-amino-2-(butanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]butanamide
CID 91328752
methyl 2-acetamido-3-[(2-acetamido-3-oxobutyl)disulfanyl]propanoate
CID 167040629

Frequently Asked Questions

What is the IUPAC name of acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide (CID 170627588) is acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide is CC(N)=O.CCNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NCC.
What is the InChIKey of acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is DVGFCCDJJIMYIX-PPHPATTJSA-N. The full InChI is InChI=1S/C12H23N3O3S2.C2H5NO/c1-4-13-11(17)6-7-19-20-8-10(15-9(3)16)12(18)14-5-2;1-2(3)4/h10H,4-8H2,1-3H3,(H,13,17)(H,14,18)(H,15,16);1H3,(H2,3,4)/t10-;/m0./s1.
What are the key properties of acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide?
acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 380.54 g/mol, XLogP of 0.03, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 170627588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).