(4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C66H70F4N6O10S4 — CID 158900057

About (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 158900057) has the molecular formula C66H70F4N6O10S4 and a molecular weight of 1311.58 g/mol. Its IUPAC name is (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 158900057
• Molecular Formula: C66H70F4N6O10S4
• Molecular Weight: 1311.58 g/mol
• Exact Mass: 1310.40
• IUPAC Name: (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc3c(cc2F)[C@@H](N2CC[C@@H](C)C[C@H]2c2ccc(F)cc2)CCO3)c(OC)c1.COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc3c(cc2F)[C@H](N2CC[C@@H](C)C[C@H]2c2ccc(F)cc2)CCO3)c(OC)c1
• InChI: InChI=1S/2C33H35F2N3O5S2/c2*1-21-10-13-37(29(16-21)22-4-7-24(34)8-5-22)28-11-14-43-31-19-32(27(35)18-26(28)31)45(39,40)38(33-36-12-15-44-33)20-23-6-9-25(41-2)17-30(23)42-3/h2*4-9,12,15,17-19,21,28-29H,10-11,13-14,16,20H2,1-3H3/t21-,28+,29+;21-,28-,29+/m11/s1
• InChIKey: JFHYRJKKQNDFNE-GUODQIAUSA-N
• XLogP: 14.26
• TPSA: 162.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.58
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 158900057) is (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc3c(cc2F)[C@@H](N2CC[C@@H](C)C[C@H]2c2ccc(F)cc2)CCO3)c(OC)c1.COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc3c(cc2F)[C@H](N2CC[C@@H](C)C[C@H]2c2ccc(F)cc2)CCO3)c(OC)c1.

What is the InChIKey of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is JFHYRJKKQNDFNE-GUODQIAUSA-N. The full InChI is InChI=1S/2C33H35F2N3O5S2/c2*1-21-10-13-37(29(16-21)22-4-7-24(34)8-5-22)28-11-14-43-31-19-32(27(35)18-26(28)31)45(39,40)38(33-36-12-15-44-33)20-23-6-9-25(41-2)17-30(23)42-3/h2*4-9,12,15,17-19,21,28-29H,10-11,13-14,16,20H2,1-3H3/t21-,28+,29+;21-,28-,29+/m11/s1.

What are the key properties of (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

(4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 1311.58 g/mol, XLogP of 14.26, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-N-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 158900057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).