4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide

C18H28N2O3S — CID 109058846

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-16-7-5-6-12-20(16)24(22,23)17-10-8-15(9-11-17)18(21)19-13-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyZYLWEFUQHWENTF-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.03
Rot. Bonds6

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide (PubChem CID 109058846) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
PubChem CID109058846
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-16-7-5-6-12-20(16)24(22,23)17-10-8-15(9-11-17)18(21)19-13-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyZYLWEFUQHWENTF-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 109060249
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide (CID 109058846) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZYLWEFUQHWENTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-16-7-5-6-12-20(16)24(22,23)17-10-8-15(9-11-17)18(21)19-13-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,21).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide has a molecular weight of 352.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).