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

C21H24N4O2S — CID 8718821

IUPACN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H24N4O2S/c1-4-24(13-18-8-6-10-28-18)14-20(26)23-21-19(11-22)15(2)16(3)25(21)12-17-7-5-9-27-17/h5-10H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyMSHZOIOOWOULAU-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.14
Rot. Bonds8

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

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8718821) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8718821
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H24N4O2S/c1-4-24(13-18-8-6-10-28-18)14-20(26)23-21-19(11-22)15(2)16(3)25(21)12-17-7-5-9-27-17/h5-10H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyMSHZOIOOWOULAU-UHFFFAOYSA-N
XLogP4.14
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.14
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-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8718821) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is MSHZOIOOWOULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-4-24(13-18-8-6-10-28-18)14-20(26)23-21-19(11-22)15(2)16(3)25(21)12-17-7-5-9-27-17/h5-10H,4,12-14H2,1-3H3,(H,23,26).
What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 396.52 g/mol, XLogP of 4.14, 8 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-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8718821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).