N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide

C23H30N2O3S — CID 112760192

IUPACN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-20-9-7-8-17-24(20)23(26)16-18-25(21-10-5-4-6-11-21)29(27,28)22-14-12-19(2)13-15-22/h4-6,10-15,20H,3,7-9,16-18H2,1-2H3
InChIKeyKOKWTQGNSBTXLL-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.37
Rot. Bonds7

About N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 112760192) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID112760192
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-20-9-7-8-17-24(20)23(26)16-18-25(21-10-5-4-6-11-21)29(27,28)22-14-12-19(2)13-15-22/h4-6,10-15,20H,3,7-9,16-18H2,1-2H3
InChIKeyKOKWTQGNSBTXLL-UHFFFAOYSA-N
XLogP4.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145419
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
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
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone
CID 110877170
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
CID 119452704

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide (CID 112760192) is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide is CCC1CCCCN1C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is KOKWTQGNSBTXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-20-9-7-8-17-24(20)23(26)16-18-25(21-10-5-4-6-11-21)29(27,28)22-14-12-19(2)13-15-22/h4-6,10-15,20H,3,7-9,16-18H2,1-2H3.
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 112760192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).