N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C19H30N2O3S — CID 113154551

IUPACN-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-10-12-20(13-11-15)18(22)14-21(25(5,23)24)17-9-7-6-8-16(17)19(2,3)4/h6-9,15H,10-14H2,1-5H3
InChIKeyZBYUOARHMXSBND-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.01
Rot. Bonds4

About N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113154551) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113154551
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-10-12-20(13-11-15)18(22)14-21(25(5,23)24)17-9-7-6-8-16(17)19(2,3)4/h6-9,15H,10-14H2,1-5H3
InChIKeyZBYUOARHMXSBND-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154584
N-(4-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154627
N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113156111
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
N-(2-tert-butylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143308
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 31256314
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480284

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113154551) is N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CCN(C(=O)CN(c2ccccc2C(C)(C)C)S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is ZBYUOARHMXSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-10-12-20(13-11-15)18(22)14-21(25(5,23)24)17-9-7-6-8-16(17)19(2,3)4/h6-9,15H,10-14H2,1-5H3.
What are the key properties of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113154551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).