N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C18H28N2O3S — CID 113142346

IUPACN-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cc(C)cc(N(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O3S/c1-14-5-8-19(9-6-14)18(21)7-10-20(24(4,22)23)17-12-15(2)11-16(3)13-17/h11-14H,5-10H2,1-4H3
InChIKeyVDVIRAKVVOJMTH-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113142346) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113142346
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cc(C)cc(N(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O3S/c1-14-5-8-19(9-6-14)18(21)7-10-20(24(4,22)23)17-12-15(2)11-16(3)13-17/h11-14H,5-10H2,1-4H3
InChIKeyVDVIRAKVVOJMTH-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892323
N-(3,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 1076850
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
N-(3-methylphenyl)-3-(4-methyl-1-piperidinyl)propanamide
CID 1149647
N-(2,6-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 777820
N-(3,5-dimethylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 800675
N-(3,5-dimethylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1003697
N-(2,4-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1090966
N-(2,6-dimethylphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide
CID 1163730
N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 2974126
N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)alaninamide
CID 2979699
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241674

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113142346) is N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is Cc1cc(C)cc(N(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VDVIRAKVVOJMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-5-8-19(9-6-14)18(21)7-10-20(24(4,22)23)17-12-15(2)11-16(3)13-17/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113142346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).