2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C20H30N2O4S — CID 51958298

IUPAC2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COC3CCCCC3)cc2)C1
InChIInChI=1S/C20H30N2O4S/c1-16-6-5-13-22(14-16)27(24,25)19-11-9-17(10-12-19)21-20(23)15-26-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeySLZAPIOHNFUMQB-INIZCTEOSA-N
MW394.54 g/mol
LogP3.39
Rot. Bonds6

About 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 51958298) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID51958298
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COC3CCCCC3)cc2)C1
InChIInChI=1S/C20H30N2O4S/c1-16-6-5-13-22(14-16)27(24,25)19-11-9-17(10-12-19)21-20(23)15-26-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeySLZAPIOHNFUMQB-INIZCTEOSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 8700396
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 51958298) is 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COC3CCCCC3)cc2)C1.
What is the InChIKey of 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is SLZAPIOHNFUMQB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-16-6-5-13-22(14-16)27(24,25)19-11-9-17(10-12-19)21-20(23)15-26-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 51958298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).