N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide

C34H36N4O4S — CID 67334911

About N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide

N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 67334911) has the molecular formula C34H36N4O4S and a molecular weight of 596.75 g/mol. Its IUPAC name is N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide
• PubChem CID: 67334911
• Molecular Formula: C34H36N4O4S
• Molecular Weight: 596.75 g/mol
• Exact Mass: 596.25
• IUPAC Name: N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide
• SMILES: CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)C4CCc5ccccc54)c4ccccc4)CC3)cn2)cc1
• InChI: InChI=1S/C34H36N4O4S/c1-43(40,41)36-27-13-15-30(16-14-27)42-33-18-11-25(23-35-33)24-37-21-19-29(20-22-37)38(28-8-3-2-4-9-28)34(39)32-17-12-26-7-5-6-10-31(26)32/h2-11,13-16,18,23,29,32,36H,12,17,19-22,24H2,1H3
• InChIKey: WGCDLHUCQKSNEJ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.75
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide?

The IUPAC name of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide (CID 67334911) is N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide.

What is the SMILES notation for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide?

The canonical SMILES for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)C4CCc5ccccc54)c4ccccc4)CC3)cn2)cc1.

What is the InChIKey of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide?

The InChIKey is WGCDLHUCQKSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O4S/c1-43(40,41)36-27-13-15-30(16-14-27)42-33-18-11-25(23-35-33)24-37-21-19-29(20-22-37)38(28-8-3-2-4-9-28)34(39)32-17-12-26-7-5-6-10-31(26)32/h2-11,13-16,18,23,29,32,36H,12,17,19-22,24H2,1H3.

What are the key properties of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide?

N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 596.75 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 67334911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).