methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate

C23H29N3O5S — CID 26880898

IUPACmethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-4-26(5-2)32(29,30)19-12-13-21(25-14-6-7-15-25)20(16-19)24-22(27)17-8-10-18(11-9-17)23(28)31-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,24,27)
InChIKeyUDYVWORCNQGEES-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.36
Rot. Bonds8

About methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate

methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate (PubChem CID 26880898) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
PubChem CID26880898
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Namemethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-4-26(5-2)32(29,30)19-12-13-21(25-14-6-7-15-25)20(16-19)24-22(27)17-8-10-18(11-9-17)23(28)31-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,24,27)
InChIKeyUDYVWORCNQGEES-UHFFFAOYSA-N
XLogP3.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-prop-2-enoxybenzamide
CID 55577639
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
CID 55883022
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 51337606
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate (CID 26880898) is methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate?
The InChIKey is UDYVWORCNQGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-4-26(5-2)32(29,30)19-12-13-21(25-14-6-7-15-25)20(16-19)24-22(27)17-8-10-18(11-9-17)23(28)31-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,24,27).
What are the key properties of methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate?
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate has a molecular weight of 459.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate is sourced from PubChem (CID 26880898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).