2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide

C17H16N4O5S — CID 121090719

IUPAC2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1
InChIInChI=1S/C17H16N4O5S/c1-27(24,25)20-13-5-2-4-12(8-13)19-16(22)10-21-11-18-14(9-17(21)23)15-6-3-7-26-15/h2-9,11,20H,10H2,1H3,(H,19,22)
InChIKeyASFMOKSOBPNSJT-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 121090719) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID121090719
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1
InChIInChI=1S/C17H16N4O5S/c1-27(24,25)20-13-5-2-4-12(8-13)19-16(22)10-21-11-18-14(9-17(21)23)15-6-3-7-26-15/h2-9,11,20H,10H2,1H3,(H,19,22)
InChIKeyASFMOKSOBPNSJT-UHFFFAOYSA-N
XLogP1.51
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide (CID 121090719) is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is ASFMOKSOBPNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-27(24,25)20-13-5-2-4-12(8-13)19-16(22)10-21-11-18-14(9-17(21)23)15-6-3-7-26-15/h2-9,11,20H,10H2,1H3,(H,19,22).
What are the key properties of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide?
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 388.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 121090719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).