[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate

C19H21NO5S — CID 18171311

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-4-14-5-7-16(8-6-14)19(22)25-13(2)18(21)15-9-11-17(12-10-15)20-26(3,23)24/h5-13,20H,4H2,1-3H3
InChIKeyUHADQTNAZHCPOA-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.05
Rot. Bonds7

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate (PubChem CID 18171311) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
PubChem CID18171311
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-4-14-5-7-16(8-6-14)19(22)25-13(2)18(21)15-9-11-17(12-10-15)20-26(3,23)24/h5-13,20H,4H2,1-3H3
InChIKeyUHADQTNAZHCPOA-UHFFFAOYSA-N
XLogP3.05
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 17473978
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 55393236
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 39907902
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 31531619
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate (CID 18171311) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate is CCc1ccc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate?
The InChIKey is UHADQTNAZHCPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-4-14-5-7-16(8-6-14)19(22)25-13(2)18(21)15-9-11-17(12-10-15)20-26(3,23)24/h5-13,20H,4H2,1-3H3.
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate has a molecular weight of 375.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate is sourced from PubChem (CID 18171311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).