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

C21H24N4O2S — CID 8719046

IUPACN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1
InChIInChI=1S/C21H24N4O2S/c1-14-7-9-28-19(14)12-24(4)13-20(26)23-21-18(10-22)15(2)16(3)25(21)11-17-6-5-8-27-17/h5-9H,11-13H2,1-4H3,(H,23,26)
InChIKeyKNLWBVSALNOSAN-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.06
Rot. Bonds7

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

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 8719046) 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-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID8719046
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1
InChIInChI=1S/C21H24N4O2S/c1-14-7-9-28-19(14)12-24(4)13-20(26)23-21-18(10-22)15(2)16(3)25(21)11-17-6-5-8-27-17/h5-9H,11-13H2,1-4H3,(H,23,26)
InChIKeyKNLWBVSALNOSAN-UHFFFAOYSA-N
XLogP4.06
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 8719046) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is Cc1ccsc1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1.
What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is KNLWBVSALNOSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-7-9-28-19(14)12-24(4)13-20(26)23-21-18(10-22)15(2)16(3)25(21)11-17-6-5-8-27-17/h5-9H,11-13H2,1-4H3,(H,23,26).
What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 396.52 g/mol, XLogP of 4.06, 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-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8719046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).