N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide

C18H28N2O4S — CID 43900281

IUPACN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCC1CCCN(C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O4S/c1-14(2)24-17-9-7-16(8-10-17)20(25(4,22)23)13-18(21)19-11-5-6-15(3)12-19/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyNKYMTELVSLFIAY-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide (PubChem CID 43900281) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
PubChem CID43900281
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
SMILESCC1CCCN(C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O4S/c1-14(2)24-17-9-7-16(8-10-17)20(25(4,22)23)13-18(21)19-11-5-6-15(3)12-19/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyNKYMTELVSLFIAY-UHFFFAOYSA-N
XLogP2.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30272318
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30262608
N-(4-ethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144892
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
N-(2-hydroxycyclohexyl)-N-methyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43901158
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30269019
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30268974
N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113156111
N-(2-tert-butylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154584
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-(4-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154627

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide (CID 43900281) is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide is CC1CCCN(C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide?
The InChIKey is NKYMTELVSLFIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)24-17-9-7-16(8-10-17)20(25(4,22)23)13-18(21)19-11-5-6-15(3)12-19/h7-10,14-15H,5-6,11-13H2,1-4H3.
What are the key properties of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide?
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide is sourced from PubChem (CID 43900281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).