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

C20H22N4O2S — CID 9054929

IUPACN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(Cc2ccco2)c1C
InChIInChI=1S/C20H22N4O2S/c1-14-15(2)24(11-17-5-4-7-26-17)20(18(14)9-21)22-19(25)12-23(3)10-16-6-8-27-13-16/h4-8,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyGGGVOFQFWFNIPQ-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-3-ylmethyl)amino]acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9054929) 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-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9054929
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-3-ylmethyl)amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(Cc2ccco2)c1C
InChIInChI=1S/C20H22N4O2S/c1-14-15(2)24(11-17-5-4-7-26-17)20(18(14)9-21)22-19(25)12-23(3)10-16-6-8-27-13-16/h4-8,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyGGGVOFQFWFNIPQ-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-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9054929) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(Cc2ccco2)c1C.
What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is GGGVOFQFWFNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-15(2)24(11-17-5-4-7-26-17)20(18(14)9-21)22-19(25)12-23(3)10-16-6-8-27-13-16/h4-8,13H,10-12H2,1-3H3,(H,22,25).
What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl(thiophen-3-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-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9054929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).