ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate

C14H21NO5S — CID 893339

IUPACethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H21NO5S/c1-4-11(3)15-21(17,18)13-8-6-12(7-9-13)20-10-14(16)19-5-2/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyZRACJIKNMKQDKJ-NSHDSACASA-N
MW315.39 g/mol
LogP1.71
Rot. Bonds8

About ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate

ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate (PubChem CID 893339) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
PubChem CID893339
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H21NO5S/c1-4-11(3)15-21(17,18)13-8-6-12(7-9-13)20-10-14(16)19-5-2/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyZRACJIKNMKQDKJ-NSHDSACASA-N
XLogP1.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631
ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate (CID 893339) is ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1.
What is the InChIKey of ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
The InChIKey is ZRACJIKNMKQDKJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-11(3)15-21(17,18)13-8-6-12(7-9-13)20-10-14(16)19-5-2/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1.
What are the key properties of ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate?
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 893339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).