N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

C20H21N5O4S2 — CID 53004910

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)s2)no1
InChIInChI=1S/C20H21N5O4S2/c1-5-17-21-19(22-29-17)15-11-16(13(3)30-15)31(27,28)23-18-12(2)24(4)25(20(18)26)14-9-7-6-8-10-14/h6-11,23H,5H2,1-4H3
InChIKeyWQYHLDJTAXUBDA-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.27
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53004910) has the molecular formula C20H21N5O4S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53004910
Molecular FormulaC20H21N5O4S2
Molecular Weight459.55 g/mol
Exact Mass459.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)s2)no1
InChIInChI=1S/C20H21N5O4S2/c1-5-17-21-19(22-29-17)15-11-16(13(3)30-15)31(27,28)23-18-12(2)24(4)25(20(18)26)14-9-7-6-8-10-14/h6-11,23H,5H2,1-4H3
InChIKeyWQYHLDJTAXUBDA-UHFFFAOYSA-N
XLogP3.27
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041590
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,5-trimethylbenzenesulfonamide
CID 7573888
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 2862939
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 2812825
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 2329120
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxyquinoline-5-sulfonamide
CID 12060450
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
5-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide
CID 2812823
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
CID 53041587
ethyl 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxylate
CID 53041550

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 53004910) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is CCc1nc(-c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)s2)no1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is WQYHLDJTAXUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S2/c1-5-17-21-19(22-29-17)15-11-16(13(3)30-15)31(27,28)23-18-12(2)24(4)25(20(18)26)14-9-7-6-8-10-14/h6-11,23H,5H2,1-4H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 459.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53004910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).