N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

C22H20N4OS — CID 133409464

IUPACN-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCc1cc2c(NC(C)c3cccc(NC(=O)c4ccccc4)c3)ncnc2s1
InChIInChI=1S/C22H20N4OS/c1-14-11-19-20(23-13-24-22(19)28-14)25-15(2)17-9-6-10-18(12-17)26-21(27)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyWJLRZDYGADXAFD-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.43
Rot. Bonds5

About N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (PubChem CID 133409464) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
PubChem CID133409464
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCc1cc2c(NC(C)c3cccc(NC(=O)c4ccccc4)c3)ncnc2s1
InChIInChI=1S/C22H20N4OS/c1-14-11-19-20(23-13-24-22(19)28-14)25-15(2)17-9-6-10-18(12-17)26-21(27)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyWJLRZDYGADXAFD-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409463
N-[1-(3,4-difluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133407621
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650
6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763782
N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618764
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
N-[2-(dimethylamino)ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025789
3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 141272066
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524
4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
CID 174641915

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (CID 133409464) is N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is Cc1cc2c(NC(C)c3cccc(NC(=O)c4ccccc4)c3)ncnc2s1.
What is the InChIKey of N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is WJLRZDYGADXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-14-11-19-20(23-13-24-22(19)28-14)25-15(2)17-9-6-10-18(12-17)26-21(27)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 388.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 133409464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).