2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide

C20H21N3O3S — CID 42925044

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cn2ccc(=O)[nH]c2=O)c2cccs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-13(2)14-5-7-15(8-6-14)19(16-4-3-11-27-16)21-18(25)12-23-10-9-17(24)22-20(23)26/h3-11,13,19H,12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeySNJGZRZOUYJVKB-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.63
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 42925044) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID42925044
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cn2ccc(=O)[nH]c2=O)c2cccs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-13(2)14-5-7-15(8-6-14)19(16-4-3-11-27-16)21-18(25)12-23-10-9-17(24)22-20(23)26/h3-11,13,19H,12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeySNJGZRZOUYJVKB-UHFFFAOYSA-N
XLogP2.63
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33356226
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9342029
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55402687
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18775060

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide (CID 42925044) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide is CC(C)c1ccc(C(NC(=O)Cn2ccc(=O)[nH]c2=O)c2cccs2)cc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is SNJGZRZOUYJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)14-5-7-15(8-6-14)19(16-4-3-11-27-16)21-18(25)12-23-10-9-17(24)22-20(23)26/h3-11,13,19H,12H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 42925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).