N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

C17H16ClN3O2S — CID 2484160

IUPACN-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1sc2ncnc(OCC(=O)NCc3ccc(Cl)cc3)c2c1C
InChIInChI=1S/C17H16ClN3O2S/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyKKVDOKSQGUDIOU-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.66
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 2484160) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID2484160
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1sc2ncnc(OCC(=O)NCc3ccc(Cl)cc3)c2c1C
InChIInChI=1S/C17H16ClN3O2S/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyKKVDOKSQGUDIOU-UHFFFAOYSA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(2-methylpropyl)acetamide
CID 2477330
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide
CID 2705603
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 55355901
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2467042
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3995796
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2081514
N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 46321883
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 2484160) is N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is Cc1sc2ncnc(OCC(=O)NCc3ccc(Cl)cc3)c2c1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is KKVDOKSQGUDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 361.85 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2484160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).