N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide

C21H26N2O4S — CID 7761111

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H26N2O4S/c1-3-27-20-11-10-18(28(25,26)23-12-5-4-6-13-23)15-19(20)22-21(24)17-9-7-8-16(2)14-17/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyVJAQQHFURRDQEY-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.82
Rot. Bonds6

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide (PubChem CID 7761111) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
PubChem CID7761111
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H26N2O4S/c1-3-27-20-11-10-18(28(25,26)23-12-5-4-6-13-23)15-19(20)22-21(24)17-9-7-8-16(2)14-17/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyVJAQQHFURRDQEY-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 33178495
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
methyl 2-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]phenoxy]acetate
CID 55883959

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide (CID 7761111) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide?
The InChIKey is VJAQQHFURRDQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-27-20-11-10-18(28(25,26)23-12-5-4-6-13-23)15-19(20)22-21(24)17-9-7-8-16(2)14-17/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide is sourced from PubChem (CID 7761111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).