N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C23H30N2O5S — CID 46763995

IUPACN-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C23H30N2O5S/c1-4-30-19-7-5-6-18(14-19)16-24-31(27,28)20-8-9-22(29-3)21(15-20)23(26)25-12-10-17(2)11-13-25/h5-9,14-15,17,24H,4,10-13,16H2,1-3H3
InChIKeyZOQBECCJPGMZNZ-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.44
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 46763995) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID46763995
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C23H30N2O5S/c1-4-30-19-7-5-6-18(14-19)16-24-31(27,28)20-8-9-22(29-3)21(15-20)23(26)25-12-10-17(2)11-13-25/h5-9,14-15,17,24H,4,10-13,16H2,1-3H3
InChIKeyZOQBECCJPGMZNZ-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
CID 21367621
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133164270
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
CID 99958491
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 100566892
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21367610
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 21367006
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740
4-methoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 28567240

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 46763995) is N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZOQBECCJPGMZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-30-19-7-5-6-18(14-19)16-24-31(27,28)20-8-9-22(29-3)21(15-20)23(26)25-12-10-17(2)11-13-25/h5-9,14-15,17,24H,4,10-13,16H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 46763995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).