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

C26H50N8O8S4 — CID 170627597

IUPACacetamide;2-acetamido-3-[[2-acetamido-3-(ethylamino)-3-oxopropyl]disulfanyl]-N-ethylpropanamide;(2R)-2-acetamido-N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCC(N)=O.CCNC(=O)C(CSSCC(NC(C)=O)C(=O)NCC)NC(C)=O.CNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NC
InChIInChI=1S/C14H26N4O4S2.C10H19N3O3S2.C2H5NO/c1-5-15-13(21)11(17-9(3)19)7-23-24-8-12(18-10(4)20)14(22)16-6-2;1-7(14)13-8(10(16)12-3)6-18-17-5-4-9(15)11-2;1-2(3)4/h11-12H,5-8H2,1-4H3,(H,15,21)(H,16,22)(H,17,19)(H,18,20);8H,4-6H2,1-3H3,(H,11,15)(H,12,16)(H,13,14);1H3,(H2,3,4)/t;8-;/m.0./s1
InChIKeyGVFDFKWQXCCUAC-JGUUTJLBSA-N
MW731.00 g/mol
LogP-1.10
Rot. Bonds19

About 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

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 (PubChem CID 170627597) has the molecular formula C26H50N8O8S4 and a molecular weight of 731.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetamide;2-acetamido-3-[[2-acetamido-3-(ethylamino)-3-oxopropyl]disulfanyl]-N-ethylpropanamide;(2R)-2-acetamido-N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
PubChem CID170627597
Molecular FormulaC26H50N8O8S4
Molecular Weight731.00 g/mol
Exact Mass730.26
IUPAC Nameacetamide;2-acetamido-3-[[2-acetamido-3-(ethylamino)-3-oxopropyl]disulfanyl]-N-ethylpropanamide;(2R)-2-acetamido-N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCC(N)=O.CCNC(=O)C(CSSCC(NC(C)=O)C(=O)NCC)NC(C)=O.CNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NC
InChIInChI=1S/C14H26N4O4S2.C10H19N3O3S2.C2H5NO/c1-5-15-13(21)11(17-9(3)19)7-23-24-8-12(18-10(4)20)14(22)16-6-2;1-7(14)13-8(10(16)12-3)6-18-17-5-4-9(15)11-2;1-2(3)4/h11-12H,5-8H2,1-4H3,(H,15,21)(H,16,22)(H,17,19)(H,18,20);8H,4-6H2,1-3H3,(H,11,15)(H,12,16)(H,13,14);1H3,(H2,3,4)/t;8-;/m.0./s1
InChIKeyGVFDFKWQXCCUAC-JGUUTJLBSA-N
XLogP-1.10
TPSA246.79 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 5-1.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
CID 170627588
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
2-acetamido-3-(propyldisulfanyl)propanoic acid
CID 539482
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
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
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
(E,12R)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl]disulfanyl]tridec-10-enamide
CID 118123945
N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 89011469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(N)=O.CCNC(=O)C(CSSCC(NC(C)=O)C(=O)NCC)NC(C)=O.CNC(=O)CCSSC[C@H](NC(C)=O)C(=O)NC.
What is the InChIKey of 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?
The InChIKey is GVFDFKWQXCCUAC-JGUUTJLBSA-N. The full InChI is InChI=1S/C14H26N4O4S2.C10H19N3O3S2.C2H5NO/c1-5-15-13(21)11(17-9(3)19)7-23-24-8-12(18-10(4)20)14(22)16-6-2;1-7(14)13-8(10(16)12-3)6-18-17-5-4-9(15)11-2;1-2(3)4/h11-12H,5-8H2,1-4H3,(H,15,21)(H,16,22)(H,17,19)(H,18,20);8H,4-6H2,1-3H3,(H,11,15)(H,12,16)(H,13,14);1H3,(H2,3,4)/t;8-;/m.0./s1.
What are the key properties of 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?
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 has a molecular weight of 731.00 g/mol, XLogP of -1.10, 19 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170627597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).