N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C17H23N3O3S — CID 4583346

IUPACN-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCC1CCCC(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)C1C
InChIInChI=1S/C17H23N3O3S/c1-10-4-3-5-12(11(10)2)18-14(21)6-8-20-16(22)15-13(7-9-24-15)19-17(20)23/h7,9-12H,3-6,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyBDCKNWKPUSJFDZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.08
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 4583346) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID4583346
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCC1CCCC(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)C1C
InChIInChI=1S/C17H23N3O3S/c1-10-4-3-5-12(11(10)2)18-14(21)6-8-20-16(22)15-13(7-9-24-15)19-17(20)23/h7,9-12H,3-6,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyBDCKNWKPUSJFDZ-UHFFFAOYSA-N
XLogP2.08
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)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

3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 4109607
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
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-methoxyethyl)butanamide
CID 15987974
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 73140329

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (CID 4583346) is N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is CC1CCCC(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is BDCKNWKPUSJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-10-4-3-5-12(11(10)2)18-14(21)6-8-20-16(22)15-13(7-9-24-15)19-17(20)23/h7,9-12H,3-6,8H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 4583346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).