N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide

C21H22FN3O3S — CID 53000336

IUPACN-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1cccn1Cc1ccccc1F
InChIInChI=1S/C21H22FN3O3S/c1-15-9-10-20(24-16(2)26)21(12-15)29(27,28)23-13-18-7-5-11-25(18)14-17-6-3-4-8-19(17)22/h3-12,23H,13-14H2,1-2H3,(H,24,26)
InChIKeyUXTMQMODYBFMSS-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.42
Rot. Bonds7

About N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide

N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 53000336) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID53000336
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1cccn1Cc1ccccc1F
InChIInChI=1S/C21H22FN3O3S/c1-15-9-10-20(24-16(2)26)21(12-15)29(27,28)23-13-18-7-5-11-25(18)14-17-6-3-4-8-19(17)22/h3-12,23H,13-14H2,1-2H3,(H,24,26)
InChIKeyUXTMQMODYBFMSS-UHFFFAOYSA-N
XLogP3.42
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 53000322
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
CID 20951256
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
1-(2-fluorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951349
N-[2-[2-(benzimidazol-1-yl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 53063425
N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
CID 20963940
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
CID 20963925
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
CID 39636523
ethyl 3-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951432
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]methanesulfonamide
CID 53000340
1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide (CID 53000336) is N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)NCc1cccn1Cc1ccccc1F.
What is the InChIKey of N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is UXTMQMODYBFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-15-9-10-20(24-16(2)26)21(12-15)29(27,28)23-13-18-7-5-11-25(18)14-17-6-3-4-8-19(17)22/h3-12,23H,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide?
N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 53000336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).