N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide

C17H26N2O3S — CID 95635716

IUPACN-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
SMILESCC(C)[S@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)23(21)16-6-4-15(5-7-16)17(20)18-12-14(3)19-8-10-22-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t14-,23+/m1/s1
InChIKeyCAUOZUVYEAKKRT-FATZIPQQSA-N
MW338.47 g/mol
LogP1.65
Rot. Bonds6

About N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide

N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide (PubChem CID 95635716) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
PubChem CID95635716
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
SMILESCC(C)[S@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)23(21)16-6-4-15(5-7-16)17(20)18-12-14(3)19-8-10-22-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t14-,23+/m1/s1
InChIKeyCAUOZUVYEAKKRT-FATZIPQQSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
CID 46970579
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 94022187
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
6-imidazol-1-yl-N-[(2S)-2-morpholin-4-ylpropyl]pyridine-3-carboxamide
CID 129367054
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55612174
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide?
The IUPAC name of N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide (CID 95635716) is N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide.
What is the SMILES notation for N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide?
The canonical SMILES for N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide is CC(C)[S@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide?
The InChIKey is CAUOZUVYEAKKRT-FATZIPQQSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)23(21)16-6-4-15(5-7-16)17(20)18-12-14(3)19-8-10-22-11-9-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t14-,23+/m1/s1.
What are the key properties of N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide?
N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide has a molecular weight of 338.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide is sourced from PubChem (CID 95635716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).