2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide

C22H20ClN3O4 — CID 99743722

IUPAC2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1
InChIInChI=1S/C22H20ClN3O4/c1-2-13-7-9-14(10-8-13)24-18(27)11-26-17-12-30-21(28)19(17)20(25-22(26)29)15-5-3-4-6-16(15)23/h3-10,20H,2,11-12H2,1H3,(H,24,27)(H,25,29)/t20-/m1/s1
InChIKeySDMWNYWUQYBKSM-HXUWFJFHSA-N
MW425.87 g/mol
LogP3.42
Rot. Bonds5

About 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide

2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 99743722) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID99743722
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1
InChIInChI=1S/C22H20ClN3O4/c1-2-13-7-9-14(10-8-13)24-18(27)11-26-17-12-30-21(28)19(17)20(25-22(26)29)15-5-3-4-6-16(15)23/h3-10,20H,2,11-12H2,1H3,(H,24,27)(H,25,29)/t20-/m1/s1
InChIKeySDMWNYWUQYBKSM-HXUWFJFHSA-N
XLogP3.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99743733
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 99747879
N-(4-bromo-3-methylphenyl)-2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99747873
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743764
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 99743720
N-(2-chloro-5-fluorophenyl)-2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743780
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 99743756
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 99743857
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 99743571
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 91894862
2-[(4R)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 99744680
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 99744681

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide (CID 99743722) is 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1.
What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is SDMWNYWUQYBKSM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-2-13-7-9-14(10-8-13)24-18(27)11-26-17-12-30-21(28)19(17)20(25-22(26)29)15-5-3-4-6-16(15)23/h3-10,20H,2,11-12H2,1H3,(H,24,27)(H,25,29)/t20-/m1/s1.
What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide?
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 425.87 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 99743722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).