4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide

C12H21N5O5S2 — CID 58003282

IUPAC4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)CCS)NCC(=O)NNC(=O)CCS
InChIInChI=1S/C12H21N5O5S2/c18-8(1-2-9(19)14-15-10(20)3-5-23)13-7-12(22)17-16-11(21)4-6-24/h23-24H,1-7H2,(H,13,18)(H,14,19)(H,15,20)(H,16,21)(H,17,22)
InChIKeyZRGUQDDHIBZTOE-UHFFFAOYSA-N
MW379.46 g/mol
LogP-2.18
Rot. Bonds9

About 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide

4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide (PubChem CID 58003282) has the molecular formula C12H21N5O5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide
PubChem CID58003282
Molecular FormulaC12H21N5O5S2
Molecular Weight379.46 g/mol
Exact Mass379.10
IUPAC Name4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)CCS)NCC(=O)NNC(=O)CCS
InChIInChI=1S/C12H21N5O5S2/c18-8(1-2-9(19)14-15-10(20)3-5-23)13-7-12(22)17-16-11(21)4-6-24/h23-24H,1-7H2,(H,13,18)(H,14,19)(H,15,20)(H,16,21)(H,17,22)
InChIKeyZRGUQDDHIBZTOE-UHFFFAOYSA-N
XLogP-2.18
TPSA145.50 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 5-2.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
CID 25104329
4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-3-methyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-3-methyl-4-oxobutanamide
CID 25104330
N-(2-hydrazinyl-2-oxoethyl)-3-[[3-[(2-hydrazinyl-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104333
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104334
N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104448
N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)-2-sulfanylacetamide
CID 44473344
N-[6-hydrazinyl-6-oxo-5-[(2-sulfanylacetyl)amino]hexyl]-2-sulfanylacetamide
CID 44473352
N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]-3-sulfanylpropanamide
CID 58003273
N-[1-acetamido-2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-oxo-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide
CID 58003276
4-[2-[2-(butanoylamino)acetyl]hydrazinyl]-4-oxo-N-(2-sulfanylethyl)butanamide
CID 58003284
N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
CID 59364570
N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide
CID 59364583

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide (CID 58003282) is 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide is O=C(CCC(=O)NNC(=O)CCS)NCC(=O)NNC(=O)CCS.
What is the InChIKey of 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide?
The InChIKey is ZRGUQDDHIBZTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O5S2/c18-8(1-2-9(19)14-15-10(20)3-5-23)13-7-12(22)17-16-11(21)4-6-24/h23-24H,1-7H2,(H,13,18)(H,14,19)(H,15,20)(H,16,21)(H,17,22).
What are the key properties of 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide?
4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide has a molecular weight of 379.46 g/mol, XLogP of -2.18, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide is sourced from PubChem (CID 58003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).