N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

C21H28N2O3S2 — CID 100747184

IUPACN-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1NC(=O)C(C)C
InChIInChI=1S/C21H28N2O3S2/c1-13(2)21(24)22-19-12-17(8-10-20(19)27-6)28(25,26)23-16(5)18-9-7-14(3)11-15(18)4/h7-13,16,23H,1-6H3,(H,22,24)/t16-/m0/s1
InChIKeyPLDGBBJYMYREEQ-INIZCTEOSA-N
MW420.60 g/mol
LogP4.66
Rot. Bonds7

About N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 100747184) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID100747184
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1NC(=O)C(C)C
InChIInChI=1S/C21H28N2O3S2/c1-13(2)21(24)22-19-12-17(8-10-20(19)27-6)28(25,26)23-16(5)18-9-7-14(3)11-15(18)4/h7-13,16,23H,1-6H3,(H,22,24)/t16-/m0/s1
InChIKeyPLDGBBJYMYREEQ-INIZCTEOSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.66
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-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133235759
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (CID 100747184) is N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is PLDGBBJYMYREEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-13(2)21(24)22-19-12-17(8-10-20(19)27-6)28(25,26)23-16(5)18-9-7-14(3)11-15(18)4/h7-13,16,23H,1-6H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 420.60 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 100747184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).