4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

C24H21NO3S2 — CID 90597144

IUPAC4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C24H21NO3S2/c1-18-6-2-5-9-24(18)28-21-10-12-22(13-11-21)30(26,27)25-16-19-7-3-4-8-23(19)20-14-15-29-17-20/h2-15,17,25H,16H2,1H3
InChIKeyONFJIVTZBPDPNM-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.99
Rot. Bonds7

About 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (PubChem CID 90597144) has the molecular formula C24H21NO3S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
PubChem CID90597144
Molecular FormulaC24H21NO3S2
Molecular Weight435.57 g/mol
Exact Mass435.10
IUPAC Name4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C24H21NO3S2/c1-18-6-2-5-9-24(18)28-21-10-12-22(13-11-21)30(26,27)25-16-19-7-3-4-8-23(19)20-14-15-29-17-20/h2-15,17,25H,16H2,1H3
InChIKeyONFJIVTZBPDPNM-UHFFFAOYSA-N
XLogP5.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597078
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 72719573
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
3-phenoxy-N-[(2-thiophen-3-ylphenyl)methyl]propane-1-sulfonamide
CID 90597161
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (CID 90597144) is 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is ONFJIVTZBPDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S2/c1-18-6-2-5-9-24(18)28-21-10-12-22(13-11-21)30(26,27)25-16-19-7-3-4-8-23(19)20-14-15-29-17-20/h2-15,17,25H,16H2,1H3.
What are the key properties of 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 435.57 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90597144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).