N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide

C20H21N3O2S — CID 164628192

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ncnc3ccsc23)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H21N3O2S/c24-17-4-2-1-3-15(17)23-18(25)11-13-5-7-14(8-6-13)19-20-16(9-10-26-20)21-12-22-19/h5-10,12,15,17,24H,1-4,11H2,(H,23,25)/t15-,17-/m1/s1
InChIKeyBYAAREKUUOQTGY-NVXWUHKLSA-N
MW367.47 g/mol
LogP3.32
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide (PubChem CID 164628192) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide
PubChem CID164628192
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ncnc3ccsc23)cc1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H21N3O2S/c24-17-4-2-1-3-15(17)23-18(25)11-13-5-7-14(8-6-13)19-20-16(9-10-26-20)21-12-22-19/h5-10,12,15,17,24H,1-4,11H2,(H,23,25)/t15-,17-/m1/s1
InChIKeyBYAAREKUUOQTGY-NVXWUHKLSA-N
XLogP3.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide (CID 164628192) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide is O=C(Cc1ccc(-c2ncnc3ccsc23)cc1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide?
The InChIKey is BYAAREKUUOQTGY-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-17-4-2-1-3-15(17)23-18(25)11-13-5-7-14(8-6-13)19-20-16(9-10-26-20)21-12-22-19/h5-10,12,15,17,24H,1-4,11H2,(H,23,25)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)acetamide is sourced from PubChem (CID 164628192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).