N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H28N2O3S — CID 9098528

IUPACN-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-23(17-19-7-5-4-6-8-19)22(25)20-9-11-21(12-10-20)28(26,27)24-15-13-18(2)14-16-24/h4-12,18H,3,13-17H2,1-2H3
InChIKeyFOJAALPMQDJGOL-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.77
Rot. Bonds6

About N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 9098528) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID9098528
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-23(17-19-7-5-4-6-8-19)22(25)20-9-11-21(12-10-20)28(26,27)24-15-13-18(2)14-16-24/h4-12,18H,3,13-17H2,1-2H3
InChIKeyFOJAALPMQDJGOL-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide
CID 119987844
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 17402330
[2-(N-ethylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 55320780
methyl 2-[benzyl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetate
CID 55816943
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 9098528) is N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FOJAALPMQDJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-23(17-19-7-5-4-6-8-19)22(25)20-9-11-21(12-10-20)28(26,27)24-15-13-18(2)14-16-24/h4-12,18H,3,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 9098528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).