N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide

C22H24N2O5S2 — CID 21002175

IUPACN-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H24N2O5S2/c1-17-5-7-18(8-6-17)16-30(25,26)24-15-22(19-4-3-13-23-14-19)31(27,28)21-11-9-20(29-2)10-12-21/h3-14,22,24H,15-16H2,1-2H3
InChIKeyXBUMBFPLMOOMKR-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.03
Rot. Bonds9

About N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide

N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 21002175) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID21002175
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H24N2O5S2/c1-17-5-7-18(8-6-17)16-30(25,26)24-15-22(19-4-3-13-23-14-19)31(27,28)21-11-9-20(29-2)10-12-21/h3-14,22,24H,15-16H2,1-2H3
InChIKeyXBUMBFPLMOOMKR-UHFFFAOYSA-N
XLogP3.03
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide 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

1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 40904368
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide (CID 21002175) is N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide is COc1ccc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccc(C)cc2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is XBUMBFPLMOOMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-17-5-7-18(8-6-17)16-30(25,26)24-15-22(19-4-3-13-23-14-19)31(27,28)21-11-9-20(29-2)10-12-21/h3-14,22,24H,15-16H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 460.58 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 21002175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).