N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide

C17H26N2O4S — CID 110348267

IUPACN-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)18-14(2)17(20)19-10-11-23-16(13-19)15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyNYJDTFVBTGKMBA-LBAUFKAWSA-N
MW354.47 g/mol
LogP1.69
Rot. Bonds7

About N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide

N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide (PubChem CID 110348267) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
PubChem CID110348267
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)18-14(2)17(20)19-10-11-23-16(13-19)15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyNYJDTFVBTGKMBA-LBAUFKAWSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
CID 110348278
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 110348231
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938300
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide (CID 110348267) is N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide?
The InChIKey is NYJDTFVBTGKMBA-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)18-14(2)17(20)19-10-11-23-16(13-19)15-8-6-5-7-9-15/h5-9,14,16,18H,3-4,10-13H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide?
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 110348267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).