4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

C20H21NO5S3 — CID 41193508

IUPAC4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO5S3/c1-15-5-9-17(10-6-15)28(22,23)20(19-4-3-13-27-19)14-21-29(24,25)18-11-7-16(26-2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyPSHDZLQBGJERED-HXUWFJFHSA-N
MW451.59 g/mol
LogP3.56
Rot. Bonds8

About 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 41193508) has the molecular formula C20H21NO5S3 and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID41193508
Molecular FormulaC20H21NO5S3
Molecular Weight451.59 g/mol
Exact Mass451.06
IUPAC Name4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO5S3/c1-15-5-9-17(10-6-15)28(22,23)20(19-4-3-13-27-19)14-21-29(24,25)18-11-7-16(26-2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyPSHDZLQBGJERED-HXUWFJFHSA-N
XLogP3.56
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-methoxybenzenesulfonamide
CID 122264801
ethyl 2-[[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 110315195
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 43981238
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18574230

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 41193508) is 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is PSHDZLQBGJERED-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO5S3/c1-15-5-9-17(10-6-15)28(22,23)20(19-4-3-13-27-19)14-21-29(24,25)18-11-7-16(26-2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 41193508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).