4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H25N3O4S — CID 9415910

IUPAC4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H25N3O4S/c1-6-22(7-2)27(25,26)16-10-8-15(9-11-16)21-19(24)18-12(3)17(14(5)23)13(4)20-18/h8-11,20H,6-7H2,1-5H3,(H,21,24)
InChIKeyVKBJLLYZHQYSHO-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.12
Rot. Bonds7

About 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 9415910) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID9415910
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H25N3O4S/c1-6-22(7-2)27(25,26)16-10-8-15(9-11-16)21-19(24)18-12(3)17(14(5)23)13(4)20-18/h8-11,20H,6-7H2,1-5H3,(H,21,24)
InChIKeyVKBJLLYZHQYSHO-UHFFFAOYSA-N
XLogP3.12
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide 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-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
ethyl 5-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42025091
4-acetyl-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5033969
4-acetyl-3,5-dimethyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 2125108
5-acetyl-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9074206
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 51299789

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 9415910) is 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is VKBJLLYZHQYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-6-22(7-2)27(25,26)16-10-8-15(9-11-16)21-19(24)18-12(3)17(14(5)23)13(4)20-18/h8-11,20H,6-7H2,1-5H3,(H,21,24).
What are the key properties of 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9415910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).