N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C18H22N2O4S2 — CID 100724795

IUPACN-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-12(14-5-7-15(24-3)8-6-14)20-26(22,23)16-9-10-18(25-4)17(11-16)19-13(2)21/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyNLFSOUGSRBZAIM-LBPRGKRZSA-N
MW394.52 g/mol
LogP3.41
Rot. Bonds7

About N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100724795) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100724795
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-12(14-5-7-15(24-3)8-6-14)20-26(22,23)16-9-10-18(25-4)17(11-16)19-13(2)21/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyNLFSOUGSRBZAIM-LBPRGKRZSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133184392
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
CID 100710035
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-ethyl-2-methoxy-5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]benzamide
CID 94019786

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100724795) is N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is COc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is NLFSOUGSRBZAIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-12(14-5-7-15(24-3)8-6-14)20-26(22,23)16-9-10-18(25-4)17(11-16)19-13(2)21/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).