4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C17H26N2O3S — CID 51160909

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-15-7-5-6-12-19(15)17(20)14-8-10-16(11-9-14)23(21,22)18-13(2)3/h8-11,13,15,18H,4-7,12H2,1-3H3
InChIKeyBSHZXGMASZQTOF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.78
Rot. Bonds5

About 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 51160909) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID51160909
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-15-7-5-6-12-19(15)17(20)14-8-10-16(11-9-14)23(21,22)18-13(2)3/h8-11,13,15,18H,4-7,12H2,1-3H3
InChIKeyBSHZXGMASZQTOF-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpiperidin-1-yl)-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanone
CID 87000434
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 51160909) is 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BSHZXGMASZQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-15-7-5-6-12-19(15)17(20)14-8-10-16(11-9-14)23(21,22)18-13(2)3/h8-11,13,15,18H,4-7,12H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 51160909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).