N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide

C17H15N3O4S — CID 1409116

IUPACN-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C17H15N3O4S/c21-15-9-14(18-16(22)11-25-13-6-2-1-3-7-13)20(17(23)19-15)10-12-5-4-8-24-12/h1-9H,10-11H2,(H,18,22)(H,19,21,23)
InChIKeyZATDFXDMACWHAU-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.91
Rot. Bonds6

About N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide

N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide (PubChem CID 1409116) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide
PubChem CID1409116
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C17H15N3O4S/c21-15-9-14(18-16(22)11-25-13-6-2-1-3-7-13)20(17(23)19-15)10-12-5-4-8-24-12/h1-9H,10-11H2,(H,18,22)(H,19,21,23)
InChIKeyZATDFXDMACWHAU-UHFFFAOYSA-N
XLogP1.91
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-benzyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 1409105
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
CID 1409083
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510998
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2669103
2-[[4-(furan-2-ylmethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 1451171
N-(3,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490289
N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1143671

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide (CID 1409116) is N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(=O)[nH]c(=O)n1Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide?
The InChIKey is ZATDFXDMACWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-15-9-14(18-16(22)11-25-13-6-2-1-3-7-13)20(17(23)19-15)10-12-5-4-8-24-12/h1-9H,10-11H2,(H,18,22)(H,19,21,23).
What are the key properties of N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide?
N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 357.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethyl)-2,6-dioxopyrimidin-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 1409116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).