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

C17H21N3O4S — CID 2576399

IUPAC4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-15(12(3)21)11(2)18-16(10)17(22)19-13-6-8-14(9-7-13)25(23,24)20(4)5/h6-9,18H,1-5H3,(H,19,22)
InChIKeyIKEDQTOIKUFZAD-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.34
Rot. Bonds5

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

4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2576399) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2576399
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C17H21N3O4S/c1-10-15(12(3)21)11(2)18-16(10)17(22)19-13-6-8-14(9-7-13)25(23,24)20(4)5/h6-9,18H,1-5H3,(H,19,22)
InChIKeyIKEDQTOIKUFZAD-UHFFFAOYSA-N
XLogP2.34
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2576399) is 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1C.
What is the InChIKey of 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is IKEDQTOIKUFZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-15(12(3)21)11(2)18-16(10)17(22)19-13-6-8-14(9-7-13)25(23,24)20(4)5/h6-9,18H,1-5H3,(H,19,22).
What are the key properties of 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2576399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).