4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide

C19H27N3O3S — CID 110642029

IUPAC4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C19H27N3O3S/c1-6-22(7-2)26(24,25)18-10-8-16(9-11-18)19(23)20-13-17-12-14(3)21(5)15(17)4/h8-12H,6-7,13H2,1-5H3,(H,20,23)
InChIKeyFKIVOIHXMKGPPX-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.60
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide (PubChem CID 110642029) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
PubChem CID110642029
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C19H27N3O3S/c1-6-22(7-2)26(24,25)18-10-8-16(9-11-18)19(23)20-13-17-12-14(3)21(5)15(17)4/h8-12H,6-7,13H2,1-5H3,(H,20,23)
InChIKeyFKIVOIHXMKGPPX-UHFFFAOYSA-N
XLogP2.60
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide 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

4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642032
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110642046
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide (CID 110642029) is 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(C)n(C)c2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The InChIKey is FKIVOIHXMKGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-6-22(7-2)26(24,25)18-10-8-16(9-11-18)19(23)20-13-17-12-14(3)21(5)15(17)4/h8-12H,6-7,13H2,1-5H3,(H,20,23).
What are the key properties of 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide is sourced from PubChem (CID 110642029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).