N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

C23H35N3O5S — CID 55949058

IUPACN-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C23H35N3O5S/c1-17-6-11-25(12-7-17)22(27)19-8-13-26(14-9-19)23(28)21-16-20(5-4-18(21)2)32(29,30)24-10-15-31-3/h4-5,16-17,19,24H,6-15H2,1-3H3
InChIKeyRWOSQMGZOOAACE-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.03
Rot. Bonds7

About N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55949058) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55949058
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C23H35N3O5S/c1-17-6-11-25(12-7-17)22(27)19-8-13-26(14-9-19)23(28)21-16-20(5-4-18(21)2)32(29,30)24-10-15-31-3/h4-5,16-17,19,24H,6-15H2,1-3H3
InChIKeyRWOSQMGZOOAACE-UHFFFAOYSA-N
XLogP2.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119542809
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119516887
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 55979736
N-(2-methoxyethyl)-4-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55347495
1-[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55572871
3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 60619054
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 120656528
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
N-(2-methoxyethyl)-4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394953
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
N-(2-methoxyethyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 43017406
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (CID 55949058) is N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is RWOSQMGZOOAACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-17-6-11-25(12-7-17)22(27)19-8-13-26(14-9-19)23(28)21-16-20(5-4-18(21)2)32(29,30)24-10-15-31-3/h4-5,16-17,19,24H,6-15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55949058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).