N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide

C19H19N3O3S — CID 6619388

IUPACN-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NC1CCCC1
InChIInChI=1S/C19H19N3O3S/c23-16(20-13-6-4-5-7-13)12-21-15-10-11-26-17(15)18(24)22(19(21)25)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,20,23)
InChIKeyNRZBDKVXJLURJH-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.27
Rot. Bonds4

About N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide

N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 6619388) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID6619388
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NC1CCCC1
InChIInChI=1S/C19H19N3O3S/c23-16(20-13-6-4-5-7-13)12-21-15-10-11-26-17(15)18(24)22(19(21)25)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,20,23)
InChIKeyNRZBDKVXJLURJH-UHFFFAOYSA-N
XLogP2.27
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992630
benzyl 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetate
CID 22423569
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923932
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
CID 46923905
2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999929
N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 4647526
N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 3239877
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926619
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 95181824
benzyl 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetate
CID 22427960

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide (CID 6619388) is N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide is O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is NRZBDKVXJLURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-16(20-13-6-4-5-7-13)12-21-15-10-11-26-17(15)18(24)22(19(21)25)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,20,23).
What are the key properties of N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 6619388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).