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

C24H30N2O7S — CID 23846932

IUPAC(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@@H]2C[C@H](C)C=C(C(=O)Nc3ccccc3)O2)cc1
InChIInChI=1S/C24H30N2O7S/c1-18-16-22(24(28)25-19-6-4-3-5-7-19)33-23(17-18)32-15-13-26(12-14-27)34(29,30)21-10-8-20(31-2)9-11-21/h3-11,16,18,23,27H,12-15,17H2,1-2H3,(H,25,28)/t18-,23+/m1/s1
InChIKeyPAJYAZUWRFOQEY-JPYJTQIMSA-N
MW490.58 g/mol
LogP2.60
Rot. Bonds11

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

(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23846932) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23846932
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Name(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@@H]2C[C@H](C)C=C(C(=O)Nc3ccccc3)O2)cc1
InChIInChI=1S/C24H30N2O7S/c1-18-16-22(24(28)25-19-6-4-3-5-7-19)33-23(17-18)32-15-13-26(12-14-27)34(29,30)21-10-8-20(31-2)9-11-21/h3-11,16,18,23,27H,12-15,17H2,1-2H3,(H,25,28)/t18-,23+/m1/s1
InChIKeyPAJYAZUWRFOQEY-JPYJTQIMSA-N
XLogP2.60
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789374
N-[2-[[(2R,4R)-6-(aziridine-1-carbonyl)-4-methyl-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 23902624
N-[2-[[(2S,4S)-6-(4-benzylpiperazine-1-carbonyl)-4-methyl-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 23902986
2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 4226217
(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-pyridin-3-yl-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23874899
(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986331
methyl 4-[2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-6-[(2-hydroxyphenyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 4084227
(2S,4R)-N,4-dicyclopentyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23958543
(2S,4R)-4-cyclobutyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 23930781
(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902639
(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-(4-oxochromen-3-yl)-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930806
(2R,4S)-4-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 23760456

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23846932) is (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@@H]2C[C@H](C)C=C(C(=O)Nc3ccccc3)O2)cc1.
What is the InChIKey of (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PAJYAZUWRFOQEY-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-18-16-22(24(28)25-19-6-4-3-5-7-19)33-23(17-18)32-15-13-26(12-14-27)34(29,30)21-10-8-20(31-2)9-11-21/h3-11,16,18,23,27H,12-15,17H2,1-2H3,(H,25,28)/t18-,23+/m1/s1.
What are the key properties of (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-methyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23846932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).