(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide

C20H21BrN2O5S — CID 110166862

IUPAC(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide
SMILESCCCN1C(=O)CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21BrN2O5S/c1-2-12-23-17(24)13-28-19(18(23)14-6-4-3-5-7-14)20(25)22-29(26,27)16-10-8-15(21)9-11-16/h3-11,18-19H,2,12-13H2,1H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyZGSONLDOCDNIGR-RTBURBONSA-N
MW481.37 g/mol
LogP2.63
Rot. Bonds6

About (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide

(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide (PubChem CID 110166862) has the molecular formula C20H21BrN2O5S and a molecular weight of 481.37 g/mol. Its IUPAC name is (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide
PubChem CID110166862
Molecular FormulaC20H21BrN2O5S
Molecular Weight481.37 g/mol
Exact Mass480.04
IUPAC Name(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide
SMILESCCCN1C(=O)CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21BrN2O5S/c1-2-12-23-17(24)13-28-19(18(23)14-6-4-3-5-7-14)20(25)22-29(26,27)16-10-8-15(21)9-11-16/h3-11,18-19H,2,12-13H2,1H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyZGSONLDOCDNIGR-RTBURBONSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide (CID 110166862) is (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide is CCCN1C(=O)CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide?
The InChIKey is ZGSONLDOCDNIGR-RTBURBONSA-N. The full InChI is InChI=1S/C20H21BrN2O5S/c1-2-12-23-17(24)13-28-19(18(23)14-6-4-3-5-7-14)20(25)22-29(26,27)16-10-8-15(21)9-11-16/h3-11,18-19H,2,12-13H2,1H3,(H,22,25)/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide?
(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide has a molecular weight of 481.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide is sourced from PubChem (CID 110166862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).