methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate

C21H24N2O5S — CID 7695652

IUPACmethyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-6-11-18(29(26,27)23-12-4-3-5-13-23)14-19(15)22-20(24)16-7-9-17(10-8-16)21(25)28-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyNDXOKEUDUHHSPI-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.21
Rot. Bonds5

About methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate

methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate (PubChem CID 7695652) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
PubChem CID7695652
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Namemethyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-6-11-18(29(26,27)23-12-4-3-5-13-23)14-19(15)22-20(24)16-7-9-17(10-8-16)21(25)28-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyNDXOKEUDUHHSPI-UHFFFAOYSA-N
XLogP3.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
4-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 4796819
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5218006
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 55429440
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate (CID 7695652) is methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The InChIKey is NDXOKEUDUHHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15-6-11-18(29(26,27)23-12-4-3-5-13-23)14-19(15)22-20(24)16-7-9-17(10-8-16)21(25)28-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 7695652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).