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

C22H26N2O6S — CID 26265691

IUPACmethyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H26N2O6S/c1-3-30-20-12-11-18(31(27,28)24-13-5-4-6-14-24)15-19(20)23-21(25)16-7-9-17(10-8-16)22(26)29-2/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyUAEFRSOAHZUYJS-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.30
Rot. Bonds7

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

methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate (PubChem CID 26265691) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
PubChem CID26265691
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Namemethyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C22H26N2O6S/c1-3-30-20-12-11-18(31(27,28)24-13-5-4-6-14-24)15-19(20)23-21(25)16-7-9-17(10-8-16)22(26)29-2/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyUAEFRSOAHZUYJS-UHFFFAOYSA-N
XLogP3.30
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 33178495
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate (CID 26265691) is methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
The InChIKey is UAEFRSOAHZUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-3-30-20-12-11-18(31(27,28)24-13-5-4-6-14-24)15-19(20)23-21(25)16-7-9-17(10-8-16)22(26)29-2/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate?
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate has a molecular weight of 446.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 26265691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).