N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C17H18N4OS — CID 9195854

IUPACN-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ncnc2sccc12
InChIInChI=1S/C17H18N4OS/c1-3-12-6-4-5-7-14(12)20-15(22)10-21(2)16-13-8-9-23-17(13)19-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,20,22)
InChIKeyBVCKVLMZQNEQHG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.33
Rot. Bonds5

About N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9195854) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9195854
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)c1ncnc2sccc12
InChIInChI=1S/C17H18N4OS/c1-3-12-6-4-5-7-14(12)20-15(22)10-21(2)16-13-8-9-23-17(13)19-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,20,22)
InChIKeyBVCKVLMZQNEQHG-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195570
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 2498077
N-(2-ethylphenyl)-2-[methyl-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9195852
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 133408809
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-(4-ethylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437352
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53196750
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9195854) is N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CCc1ccccc1NC(=O)CN(C)c1ncnc2sccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is BVCKVLMZQNEQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-12-6-4-5-7-14(12)20-15(22)10-21(2)16-13-8-9-23-17(13)19-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).