4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C24H33N3O4S — CID 51672183

IUPAC4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C24H33N3O4S/c1-19-10-7-8-17-27(19)32(29,30)23-18-20(13-14-22(23)31-3)24(28)25-15-9-16-26(2)21-11-5-4-6-12-21/h4-6,11-14,18-19H,7-10,15-17H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyRDLJVNXEDKKSJE-LJQANCHMSA-N
MW459.61 g/mol
LogP3.51
Rot. Bonds9

About 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 51672183) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID51672183
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C24H33N3O4S/c1-19-10-7-8-17-27(19)32(29,30)23-18-20(13-14-22(23)31-3)24(28)25-15-9-16-26(2)21-11-5-4-6-12-21/h4-6,11-14,18-19H,7-10,15-17H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyRDLJVNXEDKKSJE-LJQANCHMSA-N
XLogP3.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
phenyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7984818
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 51672183) is 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is COc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C.
What is the InChIKey of 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is RDLJVNXEDKKSJE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-19-10-7-8-17-27(19)32(29,30)23-18-20(13-14-22(23)31-3)24(28)25-15-9-16-26(2)21-11-5-4-6-12-21/h4-6,11-14,18-19H,7-10,15-17H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 459.61 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 51672183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).