N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C17H25N3O2S2 — CID 3240467

IUPACN-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C17H25N3O2S2/c1-3-20-16(22)15-13(9-11(2)24-15)19-17(20)23-10-14(21)18-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyFZODDVVZADSTLS-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.84
Rot. Bonds5

About N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 3240467) has the molecular formula C17H25N3O2S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID3240467
Molecular FormulaC17H25N3O2S2
Molecular Weight367.54 g/mol
Exact Mass367.14
IUPAC NameN-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C17H25N3O2S2/c1-3-20-16(22)15-13(9-11(2)24-15)19-17(20)23-10-14(21)18-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyFZODDVVZADSTLS-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 3240467) is N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is CCn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SC(C)C2.
What is the InChIKey of N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is FZODDVVZADSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S2/c1-3-20-16(22)15-13(9-11(2)24-15)19-17(20)23-10-14(21)18-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 367.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3240467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).