2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide

C20H24N2O4S — CID 110348278

IUPAC2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-15-8-6-7-11-19(15)27(24,25)21-16(2)20(23)22-12-13-26-18(14-22)17-9-4-3-5-10-17/h3-11,16,18,21H,12-14H2,1-2H3/t16-,18?/m0/s1
InChIKeyPKNKFIPIORKPEI-ATNAJCNCSA-N
MW388.49 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide

2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide (PubChem CID 110348278) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
PubChem CID110348278
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-15-8-6-7-11-19(15)27(24,25)21-16(2)20(23)22-12-13-26-18(14-22)17-9-4-3-5-10-17/h3-11,16,18,21H,12-14H2,1-2H3/t16-,18?/m0/s1
InChIKeyPKNKFIPIORKPEI-ATNAJCNCSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938300
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
CID 110348267
2-fluoro-N-[(2S)-1-oxo-1-[(2R)-2-propan-2-ylmorpholin-4-yl]propan-2-yl]benzenesulfonamide
CID 97340478
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 110348231
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895132
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895086
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-phenylbenzenesulfonamide
CID 86864071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide (CID 110348278) is 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is PKNKFIPIORKPEI-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-8-6-7-11-19(15)27(24,25)21-16(2)20(23)22-12-13-26-18(14-22)17-9-4-3-5-10-17/h3-11,16,18,21H,12-14H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide?
2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110348278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).