N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide

C17H25ClN2O4S — CID 55665919

IUPACN-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C17H25ClN2O4S/c1-12-9-15(18)6-7-16(12)24-13(2)17(21)20-8-4-5-14(11-20)10-19-25(3,22)23/h6-7,9,13-14,19H,4-5,8,10-11H2,1-3H3
InChIKeyJMXKGNKUNHPZJY-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.20
Rot. Bonds6

About N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 55665919) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID55665919
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC NameN-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C17H25ClN2O4S/c1-12-9-15(18)6-7-16(12)24-13(2)17(21)20-8-4-5-14(11-20)10-19-25(3,22)23/h6-7,9,13-14,19H,4-5,8,10-11H2,1-3H3
InChIKeyJMXKGNKUNHPZJY-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
(2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 124611655
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 119485433
2-(4-chloro-2-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391831
(2R)-2-(4-chloro-2-methylphenoxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 31868158
1-(3-aminopiperidin-1-yl)-2-(4-chloro-2-nitrophenoxy)propan-1-one
CID 119381749
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55340400
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
1-(4-benzylpiperidin-1-yl)-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 4143277
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2S)-2-(4-chloro-2-methylphenoxy)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7346685

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 55665919) is N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1cc(Cl)ccc1OC(C)C(=O)N1CCCC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JMXKGNKUNHPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-12-9-15(18)6-7-16(12)24-13(2)17(21)20-8-4-5-14(11-20)10-19-25(3,22)23/h6-7,9,13-14,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 388.92 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 55665919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).