N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

C20H13Cl2N3O3S — CID 15944830

IUPACN-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C20H13Cl2N3O3S/c21-14-6-5-13(9-15(14)22)23-18(26)12-3-1-11(2-4-12)10-25-19(27)17-16(7-8-29-17)24-20(25)28/h1-9H,10H2,(H,23,26)(H,24,28)
InChIKeyOJCXSGPDWPJTMT-UHFFFAOYSA-N
MW446.32 g/mol
LogP4.36
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (PubChem CID 15944830) has the molecular formula C20H13Cl2N3O3S and a molecular weight of 446.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
PubChem CID15944830
Molecular FormulaC20H13Cl2N3O3S
Molecular Weight446.32 g/mol
Exact Mass445.01
IUPAC NameN-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C20H13Cl2N3O3S/c21-14-6-5-13(9-15(14)22)23-18(26)12-3-1-11(2-4-12)10-25-19(27)17-16(7-8-29-17)24-20(25)28/h1-9H,10H2,(H,23,26)(H,24,28)
InChIKeyOJCXSGPDWPJTMT-UHFFFAOYSA-N
XLogP4.36
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide with MolForge

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Related Compounds

3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6619096
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 46921684
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
N-(3,4-dichlorophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923035
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5091458

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (CID 15944830) is N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is OJCXSGPDWPJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3S/c21-14-6-5-13(9-15(14)22)23-18(26)12-3-1-11(2-4-12)10-25-19(27)17-16(7-8-29-17)24-20(25)28/h1-9H,10H2,(H,23,26)(H,24,28).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 446.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 15944830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).