N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C18H23N3O2S — CID 78752041

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22)
InChIKeyUQNVFIZZYHPFDE-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.40
Rot. Bonds8

About N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 78752041) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID78752041
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22)
InChIKeyUQNVFIZZYHPFDE-UHFFFAOYSA-N
XLogP3.40
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide with MolForge

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 8841518
N-(2-cyano-3-methylbutan-2-yl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 51199992
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718399
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26513187
N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 78752041) is N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is CC(C)C(C)(C#N)NC(=O)CN(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is UQNVFIZZYHPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 78752041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).