N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide

C18H28N2O3S — CID 1251029

IUPACN-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H28N2O3S/c1-13-8-10-19(11-9-13)18(21)16(4)20(24(5,22)23)17-7-6-14(2)15(3)12-17/h6-7,12-13,16H,8-11H2,1-5H3/t16-/m0/s1
InChIKeyBYTUULORBPZBGP-INIZCTEOSA-N
MW352.50 g/mol
LogP2.72
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide

N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 1251029) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID1251029
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H28N2O3S/c1-13-8-10-19(11-9-13)18(21)16(4)20(24(5,22)23)17-7-6-14(2)15(3)12-17/h6-7,12-13,16H,8-11H2,1-5H3/t16-/m0/s1
InChIKeyBYTUULORBPZBGP-INIZCTEOSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 961816
N-(3,4-dimethylphenyl)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2972905
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 1251029) is N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is Cc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is BYTUULORBPZBGP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13-8-10-19(11-9-13)18(21)16(4)20(24(5,22)23)17-7-6-14(2)15(3)12-17/h6-7,12-13,16H,8-11H2,1-5H3/t16-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 1251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).