N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide

C19H21N3O3S2 — CID 51358751

IUPACN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide
SMILESCc1cc(C)n(C(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H21N3O3S2/c1-12-6-7-16(10-13(12)2)27(24,25)21(5)17-8-9-26-18(17)19(23)22-15(4)11-14(3)20-22/h6-11H,1-5H3
InChIKeyZSXZEBOKLLJOEA-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide (PubChem CID 51358751) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide
PubChem CID51358751
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide
SMILESCc1cc(C)n(C(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H21N3O3S2/c1-12-6-7-16(10-13(12)2)27(24,25)21(5)17-8-9-26-18(17)19(23)22-15(4)11-14(3)20-22/h6-11H,1-5H3
InChIKeyZSXZEBOKLLJOEA-UHFFFAOYSA-N
XLogP3.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide (CID 51358751) is N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide is Cc1cc(C)n(C(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is ZSXZEBOKLLJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-12-6-7-16(10-13(12)2)27(24,25)21(5)17-8-9-26-18(17)19(23)22-15(4)11-14(3)20-22/h6-11H,1-5H3.
What are the key properties of N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 403.53 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 51358751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).