N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

C19H14FN3O2S — CID 664089

IUPACN-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H14FN3O2S/c1-11-21-17-14-7-2-3-8-15(14)25-18(17)19(22-11)26-10-16(24)23-13-6-4-5-12(20)9-13/h2-9H,10H2,1H3,(H,23,24)
InChIKeyUUFXZTPDNIAVPV-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.55
Rot. Bonds4

About N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 664089) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID664089
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H14FN3O2S/c1-11-21-17-14-7-2-3-8-15(14)25-18(17)19(22-11)26-10-16(24)23-13-6-4-5-12(20)9-13/h2-9H,10H2,1H3,(H,23,24)
InChIKeyUUFXZTPDNIAVPV-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 664089) is N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is UUFXZTPDNIAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-11-21-17-14-7-2-3-8-15(14)25-18(17)19(22-11)26-10-16(24)23-13-6-4-5-12(20)9-13/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 664089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).