N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide

C14H28N4O2S2 — CID 150928409

IUPACN-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide
SMILESCCCCNC(=O)C(C)(S)N=NC(C)(S)C(=O)NCCCC
InChIInChI=1S/C14H28N4O2S2/c1-5-7-9-15-11(19)13(3,21)17-18-14(4,22)12(20)16-10-8-6-2/h21-22H,5-10H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyLFMSSOZJSYSJOT-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.56
Rot. Bonds10

About N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide

N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide (PubChem CID 150928409) has the molecular formula C14H28N4O2S2 and a molecular weight of 348.54 g/mol. Its IUPAC name is N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide
PubChem CID150928409
Molecular FormulaC14H28N4O2S2
Molecular Weight348.54 g/mol
Exact Mass348.17
IUPAC NameN-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide
SMILESCCCCNC(=O)C(C)(S)N=NC(C)(S)C(=O)NCCCC
InChIInChI=1S/C14H28N4O2S2/c1-5-7-9-15-11(19)13(3,21)17-18-14(4,22)12(20)16-10-8-6-2/h21-22H,5-10H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyLFMSSOZJSYSJOT-UHFFFAOYSA-N
XLogP2.56
TPSA82.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2,2-dichloro-N-pentylpropanamide
CID 12827689
N-butyl-2-sulfanylacetamide;propane
CID 153354639
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
N-butylacetamide;molecular hydrogen
CID 142252069
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2-(butylcarbamoyl)-2-methyloctanoic acid
CID 140981558
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide?
The IUPAC name of N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide (CID 150928409) is N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide?
The canonical SMILES for N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide is CCCCNC(=O)C(C)(S)N=NC(C)(S)C(=O)NCCCC.
What is the InChIKey of N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide?
The InChIKey is LFMSSOZJSYSJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S2/c1-5-7-9-15-11(19)13(3,21)17-18-14(4,22)12(20)16-10-8-6-2/h21-22H,5-10H2,1-4H3,(H,15,19)(H,16,20).
What are the key properties of N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide?
N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide has a molecular weight of 348.54 g/mol, XLogP of 2.56, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide is sourced from PubChem (CID 150928409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).