N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 109063269

IUPACN-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(C)c1
InChIInChI=1S/C21H26N2O3S/c1-3-23(19-11-7-9-17(2)15-19)21(24)18-10-8-12-20(16-18)27(25,26)22-13-5-4-6-14-22/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyWHASTRHWBFCBAD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 109063269) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID109063269
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(C)c1
InChIInChI=1S/C21H26N2O3S/c1-3-23(19-11-7-9-17(2)15-19)21(24)18-10-8-12-20(16-18)27(25,26)22-13-5-4-6-14-22/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyWHASTRHWBFCBAD-UHFFFAOYSA-N
XLogP3.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22518978
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55362996
N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2464324
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-butan-2-ylamino]acetic acid
CID 119954664
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
N-(4-methylphenyl)-3-pyrrolidin-1-ylsulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzamide
CID 2325959

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 109063269) is N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WHASTRHWBFCBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(19-11-7-9-17(2)15-19)21(24)18-10-8-12-20(16-18)27(25,26)22-13-5-4-6-14-22/h7-12,15-16H,3-6,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 109063269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).