2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide

C25H28N2O3S2 — CID 133235759

IUPAC2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
SMILESCSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)cc1NC(=O)C(C)C
InChIInChI=1S/C25H28N2O3S2/c1-17(2)25(28)26-22-16-20(14-15-23(22)31-4)32(29,30)27-24(19-11-6-5-7-12-19)21-13-9-8-10-18(21)3/h5-17,24,27H,1-4H3,(H,26,28)
InChIKeyJXIUILLDXDMRAL-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.38
Rot. Bonds8

About 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide

2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide (PubChem CID 133235759) has the molecular formula C25H28N2O3S2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
PubChem CID133235759
Molecular FormulaC25H28N2O3S2
Molecular Weight468.64 g/mol
Exact Mass468.15
IUPAC Name2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
SMILESCSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)cc1NC(=O)C(C)C
InChIInChI=1S/C25H28N2O3S2/c1-17(2)25(28)26-22-16-20(14-15-23(22)31-4)32(29,30)27-24(19-11-6-5-7-12-19)21-13-9-8-10-18(21)3/h5-17,24,27H,1-4H3,(H,26,28)
InChIKeyJXIUILLDXDMRAL-UHFFFAOYSA-N
XLogP5.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100747184
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide (CID 133235759) is 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide is CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)cc1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide?
The InChIKey is JXIUILLDXDMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S2/c1-17(2)25(28)26-22-16-20(14-15-23(22)31-4)32(29,30)27-24(19-11-6-5-7-12-19)21-13-9-8-10-18(21)3/h5-17,24,27H,1-4H3,(H,26,28).
What are the key properties of 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide?
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide has a molecular weight of 468.64 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide is sourced from PubChem (CID 133235759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).