2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide

C20H30N2O4S — CID 51958223

IUPAC2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)COC3CCCC3)cc2)C1
InChIInChI=1S/C20H30N2O4S/c1-15-11-16(2)13-22(12-15)27(24,25)19-9-7-17(8-10-19)21-20(23)14-26-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyVIVCRIXRKPKVHZ-HZPDHXFCSA-N
MW394.54 g/mol
LogP3.25
Rot. Bonds6

About 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide

2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 51958223) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID51958223
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)COC3CCCC3)cc2)C1
InChIInChI=1S/C20H30N2O4S/c1-15-11-16(2)13-22(12-15)27(24,25)19-9-7-17(8-10-19)21-20(23)14-26-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyVIVCRIXRKPKVHZ-HZPDHXFCSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55630475
[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium
CID 8695187
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
N-cyclopropyl-2-[4-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30627581
1-cyclopentyl-3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27521970
[2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27998227
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 27890730
2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 46809551
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 51958223) is 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)COC3CCCC3)cc2)C1.
What is the InChIKey of 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is VIVCRIXRKPKVHZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-11-16(2)13-22(12-15)27(24,25)19-9-7-17(8-10-19)21-20(23)14-26-18-5-3-4-6-18/h7-10,15-16,18H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 51958223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).