N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide

C23H25NO8S3 — CID 10324989

IUPACN-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
InChIKeyNXODIUKWAVUFGF-INIZCTEOSA-N
MW539.65 g/mol
LogP2.98
Rot. Bonds9

About N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide

N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide (PubChem CID 10324989) has the molecular formula C23H25NO8S3 and a molecular weight of 539.65 g/mol. Its IUPAC name is N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
PubChem CID10324989
Molecular FormulaC23H25NO8S3
Molecular Weight539.65 g/mol
Exact Mass539.07
IUPAC NameN-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
InChIKeyNXODIUKWAVUFGF-INIZCTEOSA-N
XLogP2.98
TPSA132.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]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

2,2,2-Trifluoro-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-acetamide
CID 11226720
N-((S)-1-{4-[2-(2-Fluoro-benzenesulfonyl)-4-trifluoromethoxy-benzyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404933
(S)-N-(1-(4-(4-ethoxy-2-(2-fluorophenylsulfonyl)phenylsulfonyl)phenyl)ethyl)trifluoromethanesulfonamide
CID 44440494
N-[1-[4-[4-methoxy-2-(4-(111C)methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
CID 46880729
N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]ethanesulfonamide
CID 44390833
N-{(S)-1-[4-(2-Benzenesulfonyl-4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-methanesulfonamide
CID 44404898
N-((S)-1-{4-[2-(4-Chloro-benzenesulfonyl)-4-methoxy-benzenesulfonyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404903
N-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfonyl)-benzyl]-phenyl}-ethyl)-methanesulfonamide
CID 44404927
(S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-4-(2-methoxyethoxy)phenylsulfonyl)phenyl)ethyl)methanesulfonamide
CID 10461605
(S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-4-hydroxyphenylsulfonyl)phenyl)ethyl)methanesulfonamide
CID 10483071
N-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-propionamide
CID 44390834
N-[(S)-1-(4-{1-[2-(2-Fluoro-benzenesulfonyl)-4-trifluoromethoxy-phenyl]-vinyl}-phenyl)-ethyl]-methanesulfonamide
CID 44404882

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide (CID 10324989) is N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide is COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide?
The InChIKey is NXODIUKWAVUFGF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide?
N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide has a molecular weight of 539.65 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 10324989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).