4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C20H24N2O4S — CID 39837582

IUPAC4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-11-10-18(13-15(19)2)27(24,25)21-16-7-6-8-17(14-16)22-12-5-4-9-20(22)23/h6-8,10-11,13-14,21H,3-5,9,12H2,1-2H3
InChIKeyFZRMEQBMGGTHSP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.71
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 39837582) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID39837582
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-11-10-18(13-15(19)2)27(24,25)21-16-7-6-8-17(14-16)22-12-5-4-9-20(22)23/h6-8,10-11,13-14,21H,3-5,9,12H2,1-2H3
InChIKeyFZRMEQBMGGTHSP-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 39837582) is 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FZRMEQBMGGTHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-26-19-11-10-18(13-15(19)2)27(24,25)21-16-7-6-8-17(14-16)22-12-5-4-9-20(22)23/h6-8,10-11,13-14,21H,3-5,9,12H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39837582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).