1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide

C15H20N4O4S — CID 167877862

IUPAC1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)c1C
InChIInChI=1S/C15H20N4O4S/c1-9-14(11(3)20)10(2)17-15(9)13(21)8-19-7-12(6-16-19)24(22,23)18(4)5/h6-7,17H,8H2,1-5H3
InChIKeyROXAAKKPFAZTKA-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.16
Rot. Bonds6

About 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide

1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide (PubChem CID 167877862) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
PubChem CID167877862
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)c1C
InChIInChI=1S/C15H20N4O4S/c1-9-14(11(3)20)10(2)17-15(9)13(21)8-19-7-12(6-16-19)24(22,23)18(4)5/h6-7,17H,8H2,1-5H3
InChIKeyROXAAKKPFAZTKA-UHFFFAOYSA-N
XLogP1.16
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide (CID 167877862) is 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide is CC(=O)c1c(C)[nH]c(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)c1C.
What is the InChIKey of 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The InChIKey is ROXAAKKPFAZTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-9-14(11(3)20)10(2)17-15(9)13(21)8-19-7-12(6-16-19)24(22,23)18(4)5/h6-7,17H,8H2,1-5H3.
What are the key properties of 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 167877862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).