N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C16H24N4O2S — CID 119586050

IUPACN-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C16H24N4O2S/c1-11(2)8-12(9-17)19-15(21)14-5-4-13(22-14)10-23-16-18-6-7-20(16)3/h4-7,11-12H,8-10,17H2,1-3H3,(H,19,21)
InChIKeyNXKOGNGCTZFYBT-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.41
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 119586050) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID119586050
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CSc2nccn2C)o1
InChIInChI=1S/C16H24N4O2S/c1-11(2)8-12(9-17)19-15(21)14-5-4-13(22-14)10-23-16-18-6-7-20(16)3/h4-7,11-12H,8-10,17H2,1-3H3,(H,19,21)
InChIKeyNXKOGNGCTZFYBT-UHFFFAOYSA-N
XLogP2.41
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 119586050) is N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is CC(C)CC(CN)NC(=O)c1ccc(CSc2nccn2C)o1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is NXKOGNGCTZFYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11(2)8-12(9-17)19-15(21)14-5-4-13(22-14)10-23-16-18-6-7-20(16)3/h4-7,11-12H,8-10,17H2,1-3H3,(H,19,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 119586050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).