N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide

C18H28N2O4S — CID 26265845

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC(C)C
InChIInChI=1S/C18H28N2O4S/c1-4-24-17-9-8-15(13-16(17)19-18(21)12-14(2)3)25(22,23)20-10-6-5-7-11-20/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21)
InChIKeyPPEJEXWXOMNQCX-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.24
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide (PubChem CID 26265845) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
PubChem CID26265845
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC(C)C
InChIInChI=1S/C18H28N2O4S/c1-4-24-17-9-8-15(13-16(17)19-18(21)12-14(2)3)25(22,23)20-10-6-5-7-11-20/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21)
InChIKeyPPEJEXWXOMNQCX-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide (CID 26265845) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC(C)C.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide?
The InChIKey is PPEJEXWXOMNQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-24-17-9-8-15(13-16(17)19-18(21)12-14(2)3)25(22,23)20-10-6-5-7-11-20/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide has a molecular weight of 368.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide is sourced from PubChem (CID 26265845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).