4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide

C15H22N2O5S — CID 110347837

IUPAC4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)16-12(2)15(18)17-8-10-21-11-9-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyUCUTXLLEICIAOL-LBPRGKRZSA-N
MW342.42 g/mol
LogP0.61
Rot. Bonds6

About 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide

4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 110347837) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID110347837
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)16-12(2)15(18)17-8-10-21-11-9-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyUCUTXLLEICIAOL-LBPRGKRZSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
4-methyl-N-[(2S,3S)-3-methyl-1-[16-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600522
N'-(4-ethoxyphenyl)sulfonyl-4-morpholin-4-yl-4-oxobutanehydrazide
CID 9244445
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284
N-[4-methyl-1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-2-yl]-4-phenylmethoxybenzenesulfonamide
CID 155168559
ethyl 4-[(2S)-2-[(4-ethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 110348536
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
CID 7873367
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide (CID 110347837) is 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is UCUTXLLEICIAOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-13-4-6-14(7-5-13)23(19,20)16-12(2)15(18)17-8-10-21-11-9-17/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide?
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110347837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).