N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide

C19H14FN5O3S — CID 22518420

IUPACN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2nccnc2c(=O)n1Cc1ccco1)Nc1ccccc1F
InChIInChI=1S/C19H14FN5O3S/c20-13-5-1-2-6-14(13)23-15(26)11-29-19-24-17-16(21-7-8-22-17)18(27)25(19)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,23,26)
InChIKeyHUUGNDAWZZKNAN-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.70
Rot. Bonds6

About N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide (PubChem CID 22518420) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide
PubChem CID22518420
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC NameN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2nccnc2c(=O)n1Cc1ccco1)Nc1ccccc1F
InChIInChI=1S/C19H14FN5O3S/c20-13-5-1-2-6-14(13)23-15(26)11-29-19-24-17-16(21-7-8-22-17)18(27)25(19)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,23,26)
InChIKeyHUUGNDAWZZKNAN-UHFFFAOYSA-N
XLogP2.70
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22518409
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488765
N-(2-fluorophenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 3825058
2-[(4-chlorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)pteridin-4-one
CID 22518403
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 20879243
2-[3-[(4-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22518520
N-(3,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490289
N-(2-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490304
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 53046795
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1071959
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 4818950

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide (CID 22518420) is N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide is O=C(CSc1nc2nccnc2c(=O)n1Cc1ccco1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide?
The InChIKey is HUUGNDAWZZKNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c20-13-5-1-2-6-14(13)23-15(26)11-29-19-24-17-16(21-7-8-22-17)18(27)25(19)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide has a molecular weight of 411.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 22518420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).