3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

C17H21N3O4S — CID 90610633

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-15-3-7-19(17(23)18-15)8-4-16(22)20(12-14-2-1-11-25-14)13-5-9-24-10-6-13/h1-3,7,11,13H,4-6,8-10,12H2,(H,18,21,23)
InChIKeyJGAYLZPBCHUINQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.20
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 90610633) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID90610633
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-15-3-7-19(17(23)18-15)8-4-16(22)20(12-14-2-1-11-25-14)13-5-9-24-10-6-13/h1-3,7,11,13H,4-6,8-10,12H2,(H,18,21,23)
InChIKeyJGAYLZPBCHUINQ-UHFFFAOYSA-N
XLogP1.20
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90610934
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261690
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
3-[oxan-4-yl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid
CID 122146451

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 90610633) is 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1ccc(=O)[nH]c1=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JGAYLZPBCHUINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-15-3-7-19(17(23)18-15)8-4-16(22)20(12-14-2-1-11-25-14)13-5-9-24-10-6-13/h1-3,7,11,13H,4-6,8-10,12H2,(H,18,21,23).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 90610633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).