N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide

C24H20Cl2N4O4S — CID 22428217

IUPACN-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C24H20Cl2N4O4S/c25-16-7-4-8-17(21(16)26)28-20(32)14-29-18-10-12-35-22(18)23(33)30(24(29)34)13-19(31)27-11-9-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14H2,(H,27,31)(H,28,32)
InChIKeyBLWNVFBYEKDXJJ-UHFFFAOYSA-N
MW531.42 g/mol
LogP3.53
Rot. Bonds8

About N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 22428217) has the molecular formula C24H20Cl2N4O4S and a molecular weight of 531.42 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID22428217
Molecular FormulaC24H20Cl2N4O4S
Molecular Weight531.42 g/mol
Exact Mass530.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C24H20Cl2N4O4S/c25-16-7-4-8-17(21(16)26)28-20(32)14-29-18-10-12-35-22(18)23(33)30(24(29)34)13-19(31)27-11-9-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14H2,(H,27,31)(H,28,32)
InChIKeyBLWNVFBYEKDXJJ-UHFFFAOYSA-N
XLogP3.53
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 6619256
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46246524
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 46923168
2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-propylacetamide
CID 46923527
N-[(2-chlorophenyl)methyl]-2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923538
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 46247876
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 16801024
2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486443
N-[2-(4-chlorophenyl)ethyl]-3-[1-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]propanamide
CID 46246592
2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999929
N-[2-(4-chlorophenyl)ethyl]-3-[1-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]propanamide
CID 46246579

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide (CID 22428217) is N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2Cl)c1=O)NCCc1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is BLWNVFBYEKDXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4S/c25-16-7-4-8-17(21(16)26)28-20(32)14-29-18-10-12-35-22(18)23(33)30(24(29)34)13-19(31)27-11-9-15-5-2-1-3-6-15/h1-8,10,12H,9,11,13-14H2,(H,27,31)(H,28,32).
What are the key properties of N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 531.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 22428217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).