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

C18H28N2O3S — CID 2974126

IUPACN-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N(C(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
InChIKeyBYTUULORBPZBGP-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.72
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 2974126) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID2974126
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N(C(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
InChIKeyBYTUULORBPZBGP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 2974126) is N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is Cc1ccc(N(C(C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is BYTUULORBPZBGP-UHFFFAOYSA-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.
What are the key properties of N-(3,4-dimethylphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-(3,4-dimethylphenyl)-N-[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-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 2974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).