[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate

C19H19NO5S — CID 55380270

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-13-2-4-14(5-3-13)18(21)12-25-19(22)15-6-10-17(11-7-15)26(23,24)20-16-8-9-16/h2-7,10-11,16,20H,8-9,12H2,1H3
InChIKeyNVWHNAVIGWXBOI-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.48
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate

[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate (PubChem CID 55380270) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
PubChem CID55380270
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-13-2-4-14(5-3-13)18(21)12-25-19(22)15-6-10-17(11-7-15)26(23,24)20-16-8-9-16/h2-7,10-11,16,20H,8-9,12H2,1H3
InChIKeyNVWHNAVIGWXBOI-UHFFFAOYSA-N
XLogP2.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 46818823
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(cyclopropylsulfamoyl)benzoate
CID 30811015
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 46818612
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519345
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate (CID 55380270) is [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate is Cc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate?
The InChIKey is NVWHNAVIGWXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-13-2-4-14(5-3-13)18(21)12-25-19(22)15-6-10-17(11-7-15)26(23,24)20-16-8-9-16/h2-7,10-11,16,20H,8-9,12H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate?
[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate has a molecular weight of 373.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 55380270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).