N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide

C21H28N2O3S2 — CID 133184392

IUPACN-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O
InChIInChI=1S/C21H28N2O3S2/c1-14(16-7-9-17(10-8-16)21(3,4)5)23-28(25,26)18-11-12-20(27-6)19(13-18)22-15(2)24/h7-14,23H,1-6H3,(H,22,24)
InChIKeyXBRUTMHZFXXYEJ-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.70
Rot. Bonds6

About N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 133184392) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID133184392
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O
InChIInChI=1S/C21H28N2O3S2/c1-14(16-7-9-17(10-8-16)21(3,4)5)23-28(25,26)18-11-12-20(27-6)19(13-18)22-15(2)24/h7-14,23H,1-6H3,(H,22,24)
InChIKeyXBRUTMHZFXXYEJ-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100724795
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
methyl 5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylbenzoate
CID 133265218
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 133184392) is N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O.
What is the InChIKey of N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is XBRUTMHZFXXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-14(16-7-9-17(10-8-16)21(3,4)5)23-28(25,26)18-11-12-20(27-6)19(13-18)22-15(2)24/h7-14,23H,1-6H3,(H,22,24).
What are the key properties of N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 420.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 133184392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).