2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide

C19H30N2O3S — CID 4590168

IUPAC2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-15(5-2)19(22)20-16-10-12-18(13-11-16)25(23,24)21-14-8-7-9-17(21)6-3/h10-13,15,17H,4-9,14H2,1-3H3,(H,20,22)
InChIKeyHYNPOHOGBUGKEG-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.01
Rot. Bonds7

About 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide

2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide (PubChem CID 4590168) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
PubChem CID4590168
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-15(5-2)19(22)20-16-10-12-18(13-11-16)25(23,24)21-14-8-7-9-17(21)6-3/h10-13,15,17H,4-9,14H2,1-3H3,(H,20,22)
InChIKeyHYNPOHOGBUGKEG-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide (CID 4590168) is 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide is CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1.
What is the InChIKey of 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide?
The InChIKey is HYNPOHOGBUGKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-15(5-2)19(22)20-16-10-12-18(13-11-16)25(23,24)21-14-8-7-9-17(21)6-3/h10-13,15,17H,4-9,14H2,1-3H3,(H,20,22).
What are the key properties of 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide?
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide has a molecular weight of 366.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide is sourced from PubChem (CID 4590168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).