4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide

C20H23N3O3S2 — CID 33306976

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-14-5-6-15(2)23(14)17-9-7-16(8-10-17)20(24)21-13-18-11-12-19(27-18)28(25,26)22(3)4/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyPIJOKFHNMGMUDD-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.34
Rot. Bonds6

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

4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide (PubChem CID 33306976) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
PubChem CID33306976
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-14-5-6-15(2)23(14)17-9-7-16(8-10-17)20(24)21-13-18-11-12-19(27-18)28(25,26)22(3)4/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyPIJOKFHNMGMUDD-UHFFFAOYSA-N
XLogP3.34
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36908727
N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 2813898
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 33307839
ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
CID 24574536
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244881

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide (CID 33306976) is 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is PIJOKFHNMGMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-14-5-6-15(2)23(14)17-9-7-16(8-10-17)20(24)21-13-18-11-12-19(27-18)28(25,26)22(3)4/h5-12H,13H2,1-4H3,(H,21,24).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 33306976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).