5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide

C20H18N4O2S — CID 71701789

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1
InChIInChI=1S/C20H18N4O2S/c1-12-9-13(2)23-20(22-12)27-11-16-5-6-18(26-16)19(25)24-15-4-3-14-7-8-21-17(14)10-15/h3-10,21H,11H2,1-2H3,(H,24,25)
InChIKeyDJCKAPUEXQMLRJ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.71
Rot. Bonds5

About 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide (PubChem CID 71701789) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide
PubChem CID71701789
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1
InChIInChI=1S/C20H18N4O2S/c1-12-9-13(2)23-20(22-12)27-11-16-5-6-18(26-16)19(25)24-15-4-3-14-7-8-21-17(14)10-15/h3-10,21H,11H2,1-2H3,(H,24,25)
InChIKeyDJCKAPUEXQMLRJ-UHFFFAOYSA-N
XLogP4.71
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide (CID 71701789) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide is Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide?
The InChIKey is DJCKAPUEXQMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12-9-13(2)23-20(22-12)27-11-16-5-6-18(26-16)19(25)24-15-4-3-14-7-8-21-17(14)10-15/h3-10,21H,11H2,1-2H3,(H,24,25).
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1H-indol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 71701789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).