N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide

C17H19N3O4S2 — CID 53130952

IUPACN-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19N3O4S2/c1-4-20-14(7-8-18-20)12-9-17(25-11-12)26(21,22)19-13-5-6-15(23-2)16(10-13)24-3/h5-11,19H,4H2,1-3H3
InChIKeyJJHYBQLJJYKQNR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.45
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide

N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53130952) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53130952
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19N3O4S2/c1-4-20-14(7-8-18-20)12-9-17(25-11-12)26(21,22)19-13-5-6-15(23-2)16(10-13)24-3/h5-11,19H,4H2,1-3H3
InChIKeyJJHYBQLJJYKQNR-UHFFFAOYSA-N
XLogP3.45
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131082
N-(5-chloro-2-methoxyphenyl)-4-(2-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130934
N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131067
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131046
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 20900799
N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130905
N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53130952) is N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide is CCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is JJHYBQLJJYKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-4-20-14(7-8-18-20)12-9-17(25-11-12)26(21,22)19-13-5-6-15(23-2)16(10-13)24-3/h5-11,19H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53130952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).