propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate

C20H23NO5S — CID 55755393

IUPACpropyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-4-13-26-20(23)16-5-9-17(10-6-16)21-19(22)15-7-11-18(12-8-15)27(24,25)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyCJAYEIYLIGTSQL-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.69
Rot. Bonds7

About propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate

propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 55755393) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
PubChem CID55755393
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Namepropyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-4-13-26-20(23)16-5-9-17(10-6-16)21-19(22)15-7-11-18(12-8-15)27(24,25)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyCJAYEIYLIGTSQL-UHFFFAOYSA-N
XLogP3.69
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
CID 18195951
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate (CID 55755393) is propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is CJAYEIYLIGTSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-13-26-20(23)16-5-9-17(10-6-16)21-19(22)15-7-11-18(12-8-15)27(24,25)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate?
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 389.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 55755393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).