(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C20H30N2O7S — CID 23902627

IUPAC(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](C(C)C)C=C(C(N)=O)O2)cc1
InChIInChI=1S/C20H30N2O7S/c1-14(2)15-12-18(20(21)24)29-19(13-15)28-11-9-22(8-10-23)30(25,26)17-6-4-16(27-3)5-7-17/h4-7,12,14-15,19,23H,8-11,13H2,1-3H3,(H2,21,24)/t15-,19+/m0/s1
InChIKeyXZNUOCGHAMQUHH-HNAYVOBHSA-N
MW442.53 g/mol
LogP1.08
Rot. Bonds11

About (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902627) has the molecular formula C20H30N2O7S and a molecular weight of 442.53 g/mol. Its IUPAC name is (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902627
Molecular FormulaC20H30N2O7S
Molecular Weight442.53 g/mol
Exact Mass442.18
IUPAC Name(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](C(C)C)C=C(C(N)=O)O2)cc1
InChIInChI=1S/C20H30N2O7S/c1-14(2)15-12-18(20(21)24)29-19(13-15)28-11-9-22(8-10-23)30(25,26)17-6-4-16(27-3)5-7-17/h4-7,12,14-15,19,23H,8-11,13H2,1-3H3,(H2,21,24)/t15-,19+/m0/s1
InChIKeyXZNUOCGHAMQUHH-HNAYVOBHSA-N
XLogP1.08
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902627) is (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](C(C)C)C=C(C(N)=O)O2)cc1.
What is the InChIKey of (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is XZNUOCGHAMQUHH-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H30N2O7S/c1-14(2)15-12-18(20(21)24)29-19(13-15)28-11-9-22(8-10-23)30(25,26)17-6-4-16(27-3)5-7-17/h4-7,12,14-15,19,23H,8-11,13H2,1-3H3,(H2,21,24)/t15-,19+/m0/s1.
What are the key properties of (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).