2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C21H21N3O2S — CID 78825305

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c(C#N)c1C
InChIInChI=1S/C21H21N3O2S/c1-15-16(2)27-21(19(15)11-22)23-20(25)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10H,12-14H2,1-2H3,(H,23,25)
InChIKeyNCPIQDKEPMLDJK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.47
Rot. Bonds7

About 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 78825305) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID78825305
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c(C#N)c1C
InChIInChI=1S/C21H21N3O2S/c1-15-16(2)27-21(19(15)11-22)23-20(25)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10H,12-14H2,1-2H3,(H,23,25)
InChIKeyNCPIQDKEPMLDJK-UHFFFAOYSA-N
XLogP4.47
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 78821213
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128921
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9334344
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 24589152
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 78825305) is 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN(Cc2ccccc2)Cc2ccco2)c(C#N)c1C.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is NCPIQDKEPMLDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-16(2)27-21(19(15)11-22)23-20(25)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10H,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 78825305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).