N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide

C23H30N2O6S — CID 55544298

IUPACN-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C23H30N2O6S/c1-5-31-17-8-10-18(11-9-17)32(27,28)24-20-14-22(30-4)21(29-3)13-19(20)23(26)25-12-6-7-16(2)15-25/h8-11,13-14,16,24H,5-7,12,15H2,1-4H3
InChIKeyDOXZLFRRNBPJOA-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.78
Rot. Bonds8

About N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide

N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 55544298) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
PubChem CID55544298
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C23H30N2O6S/c1-5-31-17-8-10-18(11-9-17)32(27,28)24-20-14-22(30-4)21(29-3)13-19(20)23(26)25-12-6-7-16(2)15-25/h8-11,13-14,16,24H,5-7,12,15H2,1-4H3
InChIKeyDOXZLFRRNBPJOA-UHFFFAOYSA-N
XLogP3.78
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
CID 24667240
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
5-[(4-ethoxyphenyl)sulfonylamino]-6-[(3R)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 95065055
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 26549903
4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368483
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20918150
N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368481

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide (CID 55544298) is N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is DOXZLFRRNBPJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-5-31-17-8-10-18(11-9-17)32(27,28)24-20-14-22(30-4)21(29-3)13-19(20)23(26)25-12-6-7-16(2)15-25/h8-11,13-14,16,24H,5-7,12,15H2,1-4H3.
What are the key properties of N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide?
N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 55544298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).