(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

C32H35F3N2O7S — CID 23874801

IUPAC(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)C=C(C(=O)NCCc3ccccc3)O2)cc1
InChIInChI=1S/C32H35F3N2O7S/c1-42-27-11-13-28(14-12-27)45(40,41)37(17-19-38)18-20-43-30-22-25(24-7-9-26(10-8-24)32(33,34)35)21-29(44-30)31(39)36-16-15-23-5-3-2-4-6-23/h2-14,21,25,30,38H,15-20,22H2,1H3,(H,36,39)/t25-,30+/m0/s1
InChIKeyPFFUAWHUCJXFAX-SETSBSEESA-N
MW648.70 g/mol
LogP4.49
Rot. Bonds14

About (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23874801) has the molecular formula C32H35F3N2O7S and a molecular weight of 648.70 g/mol. Its IUPAC name is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23874801
Molecular FormulaC32H35F3N2O7S
Molecular Weight648.70 g/mol
Exact Mass648.21
IUPAC Name(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)C=C(C(=O)NCCc3ccccc3)O2)cc1
InChIInChI=1S/C32H35F3N2O7S/c1-42-27-11-13-28(14-12-27)45(40,41)37(17-19-38)18-20-43-30-22-25(24-7-9-26(10-8-24)32(33,34)35)21-29(44-30)31(39)36-16-15-23-5-3-2-4-6-23/h2-14,21,25,30,38H,15-20,22H2,1H3,(H,36,39)/t25-,30+/m0/s1
InChIKeyPFFUAWHUCJXFAX-SETSBSEESA-N
XLogP4.49
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.70
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23874801) is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)C=C(C(=O)NCCc3ccccc3)O2)cc1.
What is the InChIKey of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PFFUAWHUCJXFAX-SETSBSEESA-N. The full InChI is InChI=1S/C32H35F3N2O7S/c1-42-27-11-13-28(14-12-27)45(40,41)37(17-19-38)18-20-43-30-22-25(24-7-9-26(10-8-24)32(33,34)35)21-29(44-30)31(39)36-16-15-23-5-3-2-4-6-23/h2-14,21,25,30,38H,15-20,22H2,1H3,(H,36,39)/t25-,30+/m0/s1.
What are the key properties of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 648.70 g/mol, XLogP of 4.49, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23874801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).