ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane

C18H40N4O2S — CID 144515294

IUPACethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane
SMILESCC.CC.CCCCC.COCc1cn(CCNC(=O)CSC)nn1
InChIInChI=1S/C9H16N4O2S.C5H12.2C2H6/c1-15-6-8-5-13(12-11-8)4-3-10-9(14)7-16-2;1-3-5-4-2;2*1-2/h5H,3-4,6-7H2,1-2H3,(H,10,14);3-5H2,1-2H3;2*1-2H3
InChIKeyLFMDRAFPSLPMHS-UHFFFAOYSA-N
MW376.61 g/mol
LogP4.15
Rot. Bonds9

About ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane

ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane (PubChem CID 144515294) has the molecular formula C18H40N4O2S and a molecular weight of 376.61 g/mol. Its IUPAC name is ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane.

Molecular Properties

Compound Nameethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane
PubChem CID144515294
Molecular FormulaC18H40N4O2S
Molecular Weight376.61 g/mol
Exact Mass376.29
IUPAC Nameethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane
SMILESCC.CC.CCCCC.COCc1cn(CCNC(=O)CSC)nn1
InChIInChI=1S/C9H16N4O2S.C5H12.2C2H6/c1-15-6-8-5-13(12-11-8)4-3-10-9(14)7-16-2;1-3-5-4-2;2*1-2/h5H,3-4,6-7H2,1-2H3,(H,10,14);3-5H2,1-2H3;2*1-2H3
InChIKeyLFMDRAFPSLPMHS-UHFFFAOYSA-N
XLogP4.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane 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

3-[3-[4-(methoxymethyl)triazol-1-yl]propylamino]-3-oxopropane-1-thiolate
CID 144515281
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 144977278
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
ethane;methyl 2-(4-butyltriazol-1-yl)acetate
CID 164877743
(1-butyltriazol-4-yl)methyl 5-[2-(2-methoxyethoxy)ethylamino]-4-methyl-5-oxopentanoate
CID 162217817

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane?
The IUPAC name of ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane (CID 144515294) is ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane.
What is the SMILES notation for ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane?
The canonical SMILES for ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane is CC.CC.CCCCC.COCc1cn(CCNC(=O)CSC)nn1.
What is the InChIKey of ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane?
The InChIKey is LFMDRAFPSLPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.C5H12.2C2H6/c1-15-6-8-5-13(12-11-8)4-3-10-9(14)7-16-2;1-3-5-4-2;2*1-2/h5H,3-4,6-7H2,1-2H3,(H,10,14);3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane?
ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane has a molecular weight of 376.61 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane is sourced from PubChem (CID 144515294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).