N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

C17H26N2O4S — CID 4695524

IUPACN-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-5-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyYXRVGKWTTGQDPO-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.15
Rot. Bonds7

About N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 4695524) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
PubChem CID4695524
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-5-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyYXRVGKWTTGQDPO-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 7833234
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800978
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(2-hydroxyethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3544806
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599155

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (CID 4695524) is N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is CCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is YXRVGKWTTGQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-5-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 354.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 4695524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).