2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

C16H24N2O3S — CID 18143240

IUPAC2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)16(19)17-14-8-10-18(11-9-14)22(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyRUDSOTSSQVRYGS-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.92
Rot. Bonds4

About 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 18143240) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID18143240
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)16(19)17-14-8-10-18(11-9-14)22(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyRUDSOTSSQVRYGS-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 30796038
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 24609619
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 18143240) is 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is RUDSOTSSQVRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)16(19)17-14-8-10-18(11-9-14)22(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 18143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).