N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

C21H23F3N4O4S — CID 32540620

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C21H23F3N4O4S/c1-28(13-15-6-2-3-9-18(15)32-21(22,23)24)14-20(29)26-16-7-4-8-17(12-16)33(30,31)27-19-10-5-11-25-19/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyHNFRQINLLTUAFK-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.13
Rot. Bonds8

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (PubChem CID 32540620) has the molecular formula C21H23F3N4O4S and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
PubChem CID32540620
Molecular FormulaC21H23F3N4O4S
Molecular Weight484.50 g/mol
Exact Mass484.14
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C21H23F3N4O4S/c1-28(13-15-6-2-3-9-18(15)32-21(22,23)24)14-20(29)26-16-7-4-8-17(12-16)33(30,31)27-19-10-5-11-25-19/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyHNFRQINLLTUAFK-UHFFFAOYSA-N
XLogP3.13
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 55680392
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
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CID 55628505
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CID 55573199
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CID 9117099
[2-(tert-butylamino)-2-oxoethyl]-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8767360
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4786767
ethyl 3-[[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]-ethylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (CID 32540620) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The InChIKey is HNFRQINLLTUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4S/c1-28(13-15-6-2-3-9-18(15)32-21(22,23)24)14-20(29)26-16-7-4-8-17(12-16)33(30,31)27-19-10-5-11-25-19/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide has a molecular weight of 484.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 32540620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).