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

C18H28N2O3S — CID 17256766

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-14(3)18(21)19-15-9-11-17(12-10-15)24(22,23)20-13-7-6-8-16(20)5-2/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21)
InChIKeyLDKLTHGYGKRPIT-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.62
Rot. Bonds6

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

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide (PubChem CID 17256766) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
PubChem CID17256766
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-14(3)18(21)19-15-9-11-17(12-10-15)24(22,23)20-13-7-6-8-16(20)5-2/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21)
InChIKeyLDKLTHGYGKRPIT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
(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
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
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-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide (CID 17256766) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CC)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide?
The InChIKey is LDKLTHGYGKRPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-14(3)18(21)19-15-9-11-17(12-10-15)24(22,23)20-13-7-6-8-16(20)5-2/h9-12,14,16H,4-8,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide has a molecular weight of 352.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide is sourced from PubChem (CID 17256766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).