(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide

C22H17N3O3S — CID 90407764

IUPAC(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C22H17N3O3S/c26-21(11-6-16-3-2-13-23-15-16)25-18-7-9-19(10-8-18)29(27,28)20-5-1-4-17-12-14-24-22(17)20/h1-15,24H,(H,25,26)/b11-6+
InChIKeyDYSQXKMVHOEHRN-IZZDOVSWSA-N
MW403.46 g/mol
LogP4.05
Rot. Bonds5

About (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 90407764) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID90407764
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C22H17N3O3S/c26-21(11-6-16-3-2-13-23-15-16)25-18-7-9-19(10-8-18)29(27,28)20-5-1-4-17-12-14-24-22(17)20/h1-15,24H,(H,25,26)/b11-6+
InChIKeyDYSQXKMVHOEHRN-IZZDOVSWSA-N
XLogP4.05
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
(E)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978968
N-cyclopentyl-3-[4-(3-pyridin-3-ylprop-2-enoylamino)phenyl]sulfonylbenzamide
CID 70978965
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
(E)-N-[4-[(E)-[2-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 71465603
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 51092375
(E)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 134048303
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide (CID 90407764) is (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cc[nH]c23)cc1.
What is the InChIKey of (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is DYSQXKMVHOEHRN-IZZDOVSWSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-21(11-6-16-3-2-13-23-15-16)25-18-7-9-19(10-8-18)29(27,28)20-5-1-4-17-12-14-24-22(17)20/h1-15,24H,(H,25,26)/b11-6+.
What are the key properties of (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 403.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 90407764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).