N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide

C18H21N3O2S2 — CID 53138902

IUPACN-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c(C)c1
InChIInChI=1S/C18H21N3O2S2/c1-10-6-7-15(11(2)8-10)21-25(22,23)17-9-16(24-14(17)5)18-12(3)13(4)19-20-18/h6-9,21H,1-5H3,(H,19,20)
InChIKeyYEDUVHRPZWUGQN-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.48
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide

N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53138902) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53138902
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c(C)c1
InChIInChI=1S/C18H21N3O2S2/c1-10-6-7-15(11(2)8-10)21-25(22,23)17-9-16(24-14(17)5)18-12(3)13(4)19-20-18/h6-9,21H,1-5H3,(H,19,20)
InChIKeyYEDUVHRPZWUGQN-UHFFFAOYSA-N
XLogP4.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 53138902) is N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YEDUVHRPZWUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-10-6-7-15(11(2)8-10)21-25(22,23)17-9-16(24-14(17)5)18-12(3)13(4)19-20-18/h6-9,21H,1-5H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 375.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53138902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).