N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

C21H28N2O5S2 — CID 133199500

IUPACN-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCOc1ccc(OCC(C)NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H28N2O5S2/c1-14(2)21(24)22-19-12-18(10-11-20(19)29-5)30(25,26)23-15(3)13-28-17-8-6-16(27-4)7-9-17/h6-12,14-15,23H,13H2,1-5H3,(H,22,24)
InChIKeyDASVUKXPRNPDCF-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.76
Rot. Bonds10

About N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 133199500) has the molecular formula C21H28N2O5S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID133199500
Molecular FormulaC21H28N2O5S2
Molecular Weight452.60 g/mol
Exact Mass452.14
IUPAC NameN-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCOc1ccc(OCC(C)NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H28N2O5S2/c1-14(2)21(24)22-19-12-18(10-11-20(19)29-5)30(25,26)23-15(3)13-28-17-8-6-16(27-4)7-9-17/h6-12,14-15,23H,13H2,1-5H3,(H,22,24)
InChIKeyDASVUKXPRNPDCF-UHFFFAOYSA-N
XLogP3.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100724795
N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100545643
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
2-methyl-N-[2-methylsulfanyl-5-[2-(4-propylphenoxy)ethylsulfamoyl]phenyl]propanamide
CID 100564472
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134
2-methyl-N-[2-methylsulfanyl-5-[(2,3,4-trimethoxyphenyl)methylsulfamoyl]phenyl]propanamide
CID 100601444
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
2-methyl-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133163034

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (CID 133199500) is N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is COc1ccc(OCC(C)NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is DASVUKXPRNPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S2/c1-14(2)21(24)22-19-12-18(10-11-20(19)29-5)30(25,26)23-15(3)13-28-17-8-6-16(27-4)7-9-17/h6-12,14-15,23H,13H2,1-5H3,(H,22,24).
What are the key properties of N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 452.60 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 133199500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).