N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C20H22N4O2S — CID 8677436

IUPACN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(Cc2ccco2)c1C
InChIInChI=1S/C20H22N4O2S/c1-14-15(2)24(11-16-6-4-8-26-16)20(18(14)10-21)22-19(25)13-23(3)12-17-7-5-9-27-17/h4-9H,11-13H2,1-3H3,(H,22,25)
InChIKeyBKRKQMKCRFJMMI-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.75
Rot. Bonds7

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8677436) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8677436
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(Cc2ccco2)c1C
InChIInChI=1S/C20H22N4O2S/c1-14-15(2)24(11-16-6-4-8-26-16)20(18(14)10-21)22-19(25)13-23(3)12-17-7-5-9-27-17/h4-9H,11-13H2,1-3H3,(H,22,25)
InChIKeyBKRKQMKCRFJMMI-UHFFFAOYSA-N
XLogP3.75
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 8677436) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(Cc2ccco2)c1C.
What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is BKRKQMKCRFJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-15(2)24(11-16-6-4-8-26-16)20(18(14)10-21)22-19(25)13-23(3)12-17-7-5-9-27-17/h4-9H,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8677436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).