N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H25N3O4S — CID 43003903

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1C
InChIInChI=1S/C19H25N3O4S/c1-14-5-8-16(22(14)2)12-20-19(23)15-6-9-18(10-7-15)27(24,25)21-13-17-4-3-11-26-17/h5-10,17,21H,3-4,11-13H2,1-2H3,(H,20,23)
InChIKeyRMBJOOYPIOJYOK-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.72
Rot. Bonds7

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43003903) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43003903
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1C
InChIInChI=1S/C19H25N3O4S/c1-14-5-8-16(22(14)2)12-20-19(23)15-6-9-18(10-7-15)27(24,25)21-13-17-4-3-11-26-17/h5-10,17,21H,3-4,11-13H2,1-2H3,(H,20,23)
InChIKeyRMBJOOYPIOJYOK-UHFFFAOYSA-N
XLogP1.72
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43003903) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is RMBJOOYPIOJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-5-8-16(22(14)2)12-20-19(23)15-6-9-18(10-7-15)27(24,25)21-13-17-4-3-11-26-17/h5-10,17,21H,3-4,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43003903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).