5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide

C18H21N3O2S2 — CID 53138888

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]c(C)c2C)sc1C
InChIInChI=1S/C18H21N3O2S2/c1-5-21(15-9-7-6-8-10-15)25(22,23)17-11-16(24-14(17)4)18-12(2)13(3)19-20-18/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyGOTYFFZISZOXIJ-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.28
Rot. Bonds5

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide (PubChem CID 53138888) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide
PubChem CID53138888
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]c(C)c2C)sc1C
InChIInChI=1S/C18H21N3O2S2/c1-5-21(15-9-7-6-8-10-15)25(22,23)17-11-16(24-14(17)4)18-12(2)13(3)19-20-18/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyGOTYFFZISZOXIJ-UHFFFAOYSA-N
XLogP4.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
Pendrin inhibitor C01
CID 53138907
N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 26743408
3-methyl-N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-thiophenesulfonamide
CID 24816641
Thieno(2,3-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
CID 3087141
5-Methylsulfonyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 28097452
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
(3R*,4S*)-4-cyclopropyl-1-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-3-thienyl]sulfonyl}pyrrolidin-3-amine
CID 72854836

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide (CID 53138888) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]c(C)c2C)sc1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide?
The InChIKey is GOTYFFZISZOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-5-21(15-9-7-6-8-10-15)25(22,23)17-11-16(24-14(17)4)18-12(2)13(3)19-20-18/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide has a molecular weight of 375.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-2-methyl-N-phenylthiophene-3-sulfonamide is sourced from PubChem (CID 53138888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).