N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C23H37N3O3S — CID 50767930

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H37N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26-15-12-20(13-16-26)18-23(27)24-14-17-25(2)21-6-4-3-5-7-21/h8-11,20-21H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyPRXJWKPTROTYLE-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.17
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 50767930) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID50767930
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H37N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26-15-12-20(13-16-26)18-23(27)24-14-17-25(2)21-6-4-3-5-7-21/h8-11,20-21H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyPRXJWKPTROTYLE-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
(2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592755
N-[3-[cyclohexyl(methyl)amino]propyl]-2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 93076182
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294858
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
N-[(2S)-butan-2-yl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 92866818
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[(3-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294908
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50767959
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767947

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 50767930) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is PRXJWKPTROTYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-19-8-10-22(11-9-19)30(28,29)26-15-12-20(13-16-26)18-23(27)24-14-17-25(2)21-6-4-3-5-7-21/h8-11,20-21H,3-7,12-18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 435.63 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 50767930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).