N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C17H25ClN2O3S — CID 113143969

IUPACN-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1c(Cl)cccc1N(CCC(=O)N1CCC(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O3S/c1-13-7-10-19(11-8-13)17(21)9-12-20(24(3,22)23)16-6-4-5-15(18)14(16)2/h4-6,13H,7-12H2,1-3H3
InChIKeyRVAKZPABFZFBQQ-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.06
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113143969) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113143969
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1c(Cl)cccc1N(CCC(=O)N1CCC(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O3S/c1-13-7-10-19(11-8-13)17(21)9-12-20(24(3,22)23)16-6-4-5-15(18)14(16)2/h4-6,13H,7-12H2,1-3H3
InChIKeyRVAKZPABFZFBQQ-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 100545028
N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113143965
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(2,3-dimethylphenyl)methanesulfonamide
CID 113142578
N-(5-chloro-2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144392
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
CID 125048957
N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 21368354
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142346
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113143969) is N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is Cc1c(Cl)cccc1N(CCC(=O)N1CCC(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is RVAKZPABFZFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-13-7-10-19(11-8-13)17(21)9-12-20(24(3,22)23)16-6-4-5-15(18)14(16)2/h4-6,13H,7-12H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).