3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C22H24N4O4S — CID 3539100

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCCn1ncc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C
InChIInChI=1S/C22H24N4O4S/c1-4-26-16(2)17(15-23-26)9-14-22(27)24-18-10-12-19(13-11-18)31(28,29)25-20-7-5-6-8-21(20)30-3/h5-15,25H,4H2,1-3H3,(H,24,27)
InChIKeyKQSDEPRUFJHUPY-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.67
Rot. Bonds8

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 3539100) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID3539100
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCCn1ncc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C
InChIInChI=1S/C22H24N4O4S/c1-4-26-16(2)17(15-23-26)9-14-22(27)24-18-10-12-19(13-11-18)31(28,29)25-20-7-5-6-8-21(20)30-3/h5-15,25H,4H2,1-3H3,(H,24,27)
InChIKeyKQSDEPRUFJHUPY-UHFFFAOYSA-N
XLogP3.67
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4836554
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 71904147
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 3539100) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is CCn1ncc(C=CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is KQSDEPRUFJHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-26-16(2)17(15-23-26)9-14-22(27)24-18-10-12-19(13-11-18)31(28,29)25-20-7-5-6-8-21(20)30-3/h5-15,25H,4H2,1-3H3,(H,24,27).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 440.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 3539100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).