(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

C22H18N4O3S — CID 90407635

IUPAC(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCn1ncc2cccc(S(=O)(=O)c3ccc(NC(=O)/C=C/c4cccnc4)cc3)c21
InChIInChI=1S/C22H18N4O3S/c1-26-22-17(15-24-26)5-2-6-20(22)30(28,29)19-10-8-18(9-11-19)25-21(27)12-7-16-4-3-13-23-14-16/h2-15H,1H3,(H,25,27)/b12-7+
InChIKeyYGPMOOVWUMYBQQ-KPKJPENVSA-N
MW418.48 g/mol
LogP3.45
Rot. Bonds5

About (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 90407635) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID90407635
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCn1ncc2cccc(S(=O)(=O)c3ccc(NC(=O)/C=C/c4cccnc4)cc3)c21
InChIInChI=1S/C22H18N4O3S/c1-26-22-17(15-24-26)5-2-6-20(22)30(28,29)19-10-8-18(9-11-19)25-21(27)12-7-16-4-3-13-23-14-16/h2-15H,1H3,(H,25,27)/b12-7+
InChIKeyYGPMOOVWUMYBQQ-KPKJPENVSA-N
XLogP3.45
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978501
(E)-3-pyridin-3-yl-N-(4-quinolin-8-ylsulfonylphenyl)prop-2-enamide
CID 70978696
(E)-N-[4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70979162
(E)-N-[4-(3-pyrazol-1-ylphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70979861
(E)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70979873
(E)-N-[4-(4-pyrazol-1-ylphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70980016
(E)-N-[4-(1-methylindazol-6-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407368
(E)-N-[4-(1H-indol-4-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407431
(E)-N-[4-(1-methylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407734
(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407764
(E)-N-[4-(1-methylindazol-5-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 90408084
3-[4-(1-methyl-1H-indazole-4-sulfonyl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 66610794

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 90407635) is (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is Cn1ncc2cccc(S(=O)(=O)c3ccc(NC(=O)/C=C/c4cccnc4)cc3)c21.
What is the InChIKey of (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is YGPMOOVWUMYBQQ-KPKJPENVSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-26-22-17(15-24-26)5-2-6-20(22)30(28,29)19-10-8-18(9-11-19)25-21(27)12-7-16-4-3-13-23-14-16/h2-15H,1H3,(H,25,27)/b12-7+.
What are the key properties of (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 418.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-methylindazol-7-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 90407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).