N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

C40H41N5O4S2 — CID 167346350

About N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (PubChem CID 167346350) has the molecular formula C40H41N5O4S2 and a molecular weight of 719.93 g/mol. Its IUPAC name is N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
• PubChem CID: 167346350
• Molecular Formula: C40H41N5O4S2
• Molecular Weight: 719.93 g/mol
• Exact Mass: 719.26
• IUPAC Name: N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C40H41N5O4S2/c1-4-35-42-37-27(2)23-28(3)41-38(37)45(35)25-29-15-17-30(18-16-29)34-24-33(26-44-19-21-49-22-20-44)50-40(34)51(47,48)43-39(46)36(31-11-7-5-8-12-31)32-13-9-6-10-14-32/h5-18,23-24,36H,4,19-22,25-26H2,1-3H3,(H,43,46)
• InChIKey: ZFPJKEUAGLTXEE-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.93
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The IUPAC name of N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (CID 167346350) is N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.

What is the SMILES notation for N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The canonical SMILES for N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The InChIKey is ZFPJKEUAGLTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N5O4S2/c1-4-35-42-37-27(2)23-28(3)41-38(37)45(35)25-29-15-17-30(18-16-29)34-24-33(26-44-19-21-49-22-20-44)50-40(34)51(47,48)43-39(46)36(31-11-7-5-8-12-31)32-13-9-6-10-14-32/h5-18,23-24,36H,4,19-22,25-26H2,1-3H3,(H,43,46).

What are the key properties of N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide has a molecular weight of 719.93 g/mol, XLogP of 6.86, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is sourced from PubChem (CID 167346350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).