2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide

C19H27N3O3S — CID 46923206

IUPAC2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O
InChIInChI=1S/C19H27N3O3S/c1-3-4-11-21-18(24)17-15(10-12-26-17)22(19(21)25)13-16(23)20(2)14-8-6-5-7-9-14/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeySXDUFIBZBDVKGU-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide

2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide (PubChem CID 46923206) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide
PubChem CID46923206
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O
InChIInChI=1S/C19H27N3O3S/c1-3-4-11-21-18(24)17-15(10-12-26-17)22(19(21)25)13-16(23)20(2)14-8-6-5-7-9-14/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeySXDUFIBZBDVKGU-UHFFFAOYSA-N
XLogP2.82
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 46923165
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46923245
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46923261
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
N-(4-acetylphenyl)-2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923229
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 46923168
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 46923214
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 46922598
3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486171
N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6486324
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 46923263

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide (CID 46923206) is 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide is CCCCn1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide?
The InChIKey is SXDUFIBZBDVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-4-11-21-18(24)17-15(10-12-26-17)22(19(21)25)13-16(23)20(2)14-8-6-5-7-9-14/h10,12,14H,3-9,11,13H2,1-2H3.
What are the key properties of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide?
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide has a molecular weight of 377.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 46923206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).