N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C19H28N2O4S — CID 113145419

IUPACN-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C19H28N2O4S/c1-4-17-7-5-6-13-20(17)19(23)12-14-21(26(3,24)25)18-10-8-16(9-11-18)15(2)22/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyLSHPCESGKLYCPR-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.84
Rot. Bonds7

About N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113145419) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113145419
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C19H28N2O4S/c1-4-17-7-5-6-13-20(17)19(23)12-14-21(26(3,24)25)18-10-8-16(9-11-18)15(2)22/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyLSHPCESGKLYCPR-UHFFFAOYSA-N
XLogP2.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146987
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 8642621
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140354
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113145419) is N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is CCC1CCCCN1C(=O)CCN(c1ccc(C(C)=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is LSHPCESGKLYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-4-17-7-5-6-13-20(17)19(23)12-14-21(26(3,24)25)18-10-8-16(9-11-18)15(2)22/h8-11,17H,4-7,12-14H2,1-3H3.
What are the key properties of N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113145419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).