N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide

C15H24N2O3S2 — CID 133219435

IUPACN-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCCC(C)NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3S2/c1-6-11(4)17-22(19,20)12-7-8-14(21-5)13(9-12)16-15(18)10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyKNTBGPLMXFNKAW-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.08
Rot. Bonds7

About N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 133219435) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID133219435
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCCC(C)NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3S2/c1-6-11(4)17-22(19,20)12-7-8-14(21-5)13(9-12)16-15(18)10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyKNTBGPLMXFNKAW-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034
N-[5-[[(1S)-1-(2,4-dimethylphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100747184
2-methyl-N-[5-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133235759
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310
2-methyl-N-[2-methylsulfanyl-5-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]propanamide
CID 100508449
2-methyl-N-[2-methylsulfanyl-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]propanamide
CID 100602128
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
2-methyl-N-[2-methylsulfanyl-5-[(2,3,4-trimethoxyphenyl)methylsulfamoyl]phenyl]propanamide
CID 100601444
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide (CID 133219435) is N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide is CCC(C)NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is KNTBGPLMXFNKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-6-11(4)17-22(19,20)12-7-8-14(21-5)13(9-12)16-15(18)10(2)3/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 344.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 133219435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).