N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide

C19H30N2O3S — CID 102416695

IUPACN-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide
SMILESCCCCC[C@@H]1C[C@@H](NC(C)=O)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-7-18-14-17(20-16(3)22)12-13-21(18)25(23,24)19-10-8-15(2)9-11-19/h8-11,17-18H,4-7,12-14H2,1-3H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyAHWQVFXRMJMDME-ZWKOTPCHSA-N
MW366.53 g/mol
LogP3.23
Rot. Bonds7

About N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide

N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide (PubChem CID 102416695) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide
PubChem CID102416695
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide
SMILESCCCCC[C@@H]1C[C@@H](NC(C)=O)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-7-18-14-17(20-16(3)22)12-13-21(18)25(23,24)19-10-8-15(2)9-11-19/h8-11,17-18H,4-7,12-14H2,1-3H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyAHWQVFXRMJMDME-ZWKOTPCHSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 102416693
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride
CID 11121973
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
1-(4-methylphenyl)sulfonyl-2-[2-[2-[1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]ethyl]azetidine
CID 165355383
(2S,3S,4R)-4-chloro-3-ethyl-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine
CID 45258573
1-[1-(4-methylphenyl)sulfonylazetidin-2-yl]non-2-yn-1-one
CID 122373239
2-(4-methylphenyl)sulfonyl-4-pentyl-2-azabicyclo[3.2.1]octane
CID 134851500
1-(4-methylphenyl)sulfonyl-2-tridecyl-4-tritylpiperazine
CID 11814383

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide (CID 102416695) is N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide is CCCCC[C@@H]1C[C@@H](NC(C)=O)CCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide?
The InChIKey is AHWQVFXRMJMDME-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-5-6-7-18-14-17(20-16(3)22)12-13-21(18)25(23,24)19-10-8-15(2)9-11-19/h8-11,17-18H,4-7,12-14H2,1-3H3,(H,20,22)/t17-,18+/m0/s1.
What are the key properties of N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide?
N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide has a molecular weight of 366.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide is sourced from PubChem (CID 102416695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).