2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

C19H18ClN3O2S — CID 8626048

IUPAC2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)C1CC1
InChIInChI=1S/C19H18ClN3O2S/c1-11(12-2-3-12)22-17(24)9-23-10-21-15-8-16(26-18(15)19(23)25)13-4-6-14(20)7-5-13/h4-8,10-12H,2-3,9H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyKZKITHCQGDDKBJ-LLVKDONJSA-N
MW387.89 g/mol
LogP3.69
Rot. Bonds5

About 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 8626048) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID8626048
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)C1CC1
InChIInChI=1S/C19H18ClN3O2S/c1-11(12-2-3-12)22-17(24)9-23-10-21-15-8-16(26-18(15)19(23)25)13-4-6-14(20)7-5-13/h4-8,10-12H,2-3,9H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyKZKITHCQGDDKBJ-LLVKDONJSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (CID 8626048) is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is C[C@@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)C1CC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is KZKITHCQGDDKBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11(12-2-3-12)22-17(24)9-23-10-21-15-8-16(26-18(15)19(23)25)13-4-6-14(20)7-5-13/h4-8,10-12H,2-3,9H2,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 387.89 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 8626048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).