N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C17H17ClN4OS — CID 9112887

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)c1ncnc2sccc12
InChIInChI=1S/C17H17ClN4OS/c1-3-22(16-13-6-7-24-17(13)20-10-19-16)9-15(23)21-14-8-12(18)5-4-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,21,23)
InChIKeyVNYPGRVMNLCEFW-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.12
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9112887) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9112887
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)c1ncnc2sccc12
InChIInChI=1S/C17H17ClN4OS/c1-3-22(16-13-6-7-24-17(13)20-10-19-16)9-15(23)21-14-8-12(18)5-4-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,21,23)
InChIKeyVNYPGRVMNLCEFW-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 2498077
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
CID 8804445
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
N-(5-chloro-2-methylphenyl)-2-[ethyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
CID 9112894
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9112887) is N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ncnc2sccc12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is VNYPGRVMNLCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-3-22(16-13-6-7-24-17(13)20-10-19-16)9-15(23)21-14-8-12(18)5-4-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 360.87 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9112887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).