N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide

C24H18ClN3O4S — CID 20875616

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21)NCc1ccccc1Cl
InChIInChI=1S/C24H18ClN3O4S/c25-18-9-3-1-6-15(18)12-26-20(29)14-27-21-17-8-2-4-10-19(17)33-22(21)23(30)28(24(27)31)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,26,29)
InChIKeyGSCCNWDDKUNFCN-UHFFFAOYSA-N
MW479.95 g/mol
LogP3.99
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 20875616) has the molecular formula C24H18ClN3O4S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID20875616
Molecular FormulaC24H18ClN3O4S
Molecular Weight479.95 g/mol
Exact Mass479.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21)NCc1ccccc1Cl
InChIInChI=1S/C24H18ClN3O4S/c25-18-9-3-1-6-15(18)12-26-20(29)14-27-21-17-8-2-4-10-19(17)33-22(21)23(30)28(24(27)31)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,26,29)
InChIKeyGSCCNWDDKUNFCN-UHFFFAOYSA-N
XLogP3.99
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 22424364
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
CID 18591295
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
CID 18591293
N-(2-cyanophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide;N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide;methane
CID 157468884
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
N-[(2-chlorophenyl)methyl]-2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923538
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 50755514
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217324
2-(3-benzyl-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl)-N-cyclohexylacetamide
CID 16811790
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide (CID 20875616) is N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is GSCCNWDDKUNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4S/c25-18-9-3-1-6-15(18)12-26-20(29)14-27-21-17-8-2-4-10-19(17)33-22(21)23(30)28(24(27)31)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 479.95 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 20875616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).