N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide

C23H30N2O4S — CID 92649285

IUPACN-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
SMILESCCN(c1ccc(OCC(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-25(30(27,28)22-11-5-18(2)6-12-22)20-7-9-21(10-8-20)29-17-23(26)24-15-13-19(3)14-16-24/h5-12,19H,4,13-17H2,1-3H3
InChIKeyQMSCWQRQETWYTB-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.85
Rot. Bonds7

About N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide

N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide (PubChem CID 92649285) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
PubChem CID92649285
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
SMILESCCN(c1ccc(OCC(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-25(30(27,28)22-11-5-18(2)6-12-22)20-7-9-21(10-8-20)29-17-23(26)24-15-13-19(3)14-16-24/h5-12,19H,4,13-17H2,1-3H3
InChIKeyQMSCWQRQETWYTB-UHFFFAOYSA-N
XLogP3.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 17247239
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-N-ethylbenzenesulfonamide
CID 92649184
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
4-ethoxy-N-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1137873
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1139820
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
CID 17247274
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1339263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide (CID 92649285) is N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide is CCN(c1ccc(OCC(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide?
The InChIKey is QMSCWQRQETWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-25(30(27,28)22-11-5-18(2)6-12-22)20-7-9-21(10-8-20)29-17-23(26)24-15-13-19(3)14-16-24/h5-12,19H,4,13-17H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide?
N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 92649285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).