N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide

C16H21N3O3S — CID 71900376

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C)n2C)c1
InChIInChI=1S/C16H21N3O3S/c1-11-5-8-14(23(21,22)17-3)9-15(11)16(20)18-10-13-7-6-12(2)19(13)4/h5-9,17H,10H2,1-4H3,(H,18,20)
InChIKeyAESFARIBTSDWAD-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.48
Rot. Bonds5

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 71900376) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID71900376
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C)n2C)c1
InChIInChI=1S/C16H21N3O3S/c1-11-5-8-14(23(21,22)17-3)9-15(11)16(20)18-10-13-7-6-12(2)19(13)4/h5-9,17H,10H2,1-4H3,(H,18,20)
InChIKeyAESFARIBTSDWAD-UHFFFAOYSA-N
XLogP1.48
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
CID 67403099
2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
CID 31218102
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24644388
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 71900376) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C)n2C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is AESFARIBTSDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-5-8-14(23(21,22)17-3)9-15(11)16(20)18-10-13-7-6-12(2)19(13)4/h5-9,17H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 71900376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).