2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C17H14FN3O3S — CID 17412727

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H14FN3O3S/c18-12-5-3-11(4-6-12)16(13-2-1-9-25-13)19-15(23)10-21-8-7-14(22)20-17(21)24/h1-9,16H,10H2,(H,19,23)(H,20,22,24)
InChIKeyAKUSQMOOBHKOCV-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.64
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 17412727) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID17412727
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H14FN3O3S/c18-12-5-3-11(4-6-12)16(13-2-1-9-25-13)19-15(23)10-21-8-7-14(22)20-17(21)24/h1-9,16H,10H2,(H,19,23)(H,20,22,24)
InChIKeyAKUSQMOOBHKOCV-UHFFFAOYSA-N
XLogP1.64
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 17412727) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is AKUSQMOOBHKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-12-5-3-11(4-6-12)16(13-2-1-9-25-13)19-15(23)10-21-8-7-14(22)20-17(21)24/h1-9,16H,10H2,(H,19,23)(H,20,22,24).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 17412727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).