N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

C24H24N4OS2 — CID 93064872

IUPACN-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1cc(C)nc(N[C@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C24H24N4OS2/c1-14-12-15(2)26-24(25-14)27-21(19-10-11-30-13-19)20-16(3)17(4)31-23(20)28-22(29)18-8-6-5-7-9-18/h5-13,21H,1-4H3,(H,28,29)(H,25,26,27)/t21-/m1/s1
InChIKeyBGXJICVYTKWDQE-OAQYLSRUSA-N
MW448.62 g/mol
LogP6.29
Rot. Bonds6

About N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 93064872) has the molecular formula C24H24N4OS2 and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID93064872
Molecular FormulaC24H24N4OS2
Molecular Weight448.62 g/mol
Exact Mass448.14
IUPAC NameN-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1cc(C)nc(N[C@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C24H24N4OS2/c1-14-12-15(2)26-24(25-14)27-21(19-10-11-30-13-19)20-16(3)17(4)31-23(20)28-22(29)18-8-6-5-7-9-18/h5-13,21H,1-4H3,(H,28,29)(H,25,26,27)/t21-/m1/s1
InChIKeyBGXJICVYTKWDQE-OAQYLSRUSA-N
XLogP6.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.62
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064787
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(3-methoxyphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 46740944
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
N-[4,5-dimethyl-3-[phenyl-(1,3-thiazol-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 4702229
N-[3-[(R)-(4-methoxyanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055689
N-[3-[(S)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 93480387
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-propan-2-ylphenyl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 46740973
N-[3-[anilino-(4-chlorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4702234
N-[3-[(R)-(4-fluoroanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055686
N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064774
N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 93064775
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-phenylmethyl]-5-ethylthiophen-2-yl]benzamide
CID 93064873

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 93064872) is N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1cc(C)nc(N[C@H](c2ccsc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1.
What is the InChIKey of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is BGXJICVYTKWDQE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4OS2/c1-14-12-15(2)26-24(25-14)27-21(19-10-11-30-13-19)20-16(3)17(4)31-23(20)28-22(29)18-8-6-5-7-9-18/h5-13,21H,1-4H3,(H,28,29)(H,25,26,27)/t21-/m1/s1.
What are the key properties of N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 448.62 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 93064872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).