N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C22H32N4O2S2 — CID 16567192

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C22H32N4O2S2/c1-15-16(2)30-21-19(15)20(24-17(3)25-21)29-13-18(27)23-14-22(7-5-4-6-8-22)26-9-11-28-12-10-26/h4-14H2,1-3H3,(H,23,27)
InChIKeyHRWUHTQQSZBIGN-UHFFFAOYSA-N
MW448.66 g/mol
LogP3.86
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 16567192) has the molecular formula C22H32N4O2S2 and a molecular weight of 448.66 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID16567192
Molecular FormulaC22H32N4O2S2
Molecular Weight448.66 g/mol
Exact Mass448.20
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C22H32N4O2S2/c1-15-16(2)30-21-19(15)20(24-17(3)25-21)29-13-18(27)23-14-22(7-5-4-6-8-22)26-9-11-28-12-10-26/h4-14H2,1-3H3,(H,23,27)
InChIKeyHRWUHTQQSZBIGN-UHFFFAOYSA-N
XLogP3.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyanocyclohexyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4821335
N-cycloheptyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4822106
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 16591115
N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680698
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34254499
N-[(2S)-3-methylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680321
N-[(1S,2S)-2-methylcyclohexyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680409
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 16564964
2-phenyl-N-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]acetamide
CID 16567188
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16602081

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 16567192) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is HRWUHTQQSZBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S2/c1-15-16(2)30-21-19(15)20(24-17(3)25-21)29-13-18(27)23-14-22(7-5-4-6-8-22)26-9-11-28-12-10-26/h4-14H2,1-3H3,(H,23,27).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 448.66 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16567192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).