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

C23H19N3O3S — CID 70978501

IUPAC(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCn1c(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-26-21-7-3-2-6-18(21)15-23(26)30(28,29)20-11-9-19(10-12-20)25-22(27)13-8-17-5-4-14-24-16-17/h2-16H,1H3,(H,25,27)/b13-8+
InChIKeyXRGGAUVPWVWPOB-MDWZMJQESA-N
MW417.49 g/mol
LogP4.06
Rot. Bonds5

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

(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70978501) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70978501
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCn1c(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-26-21-7-3-2-6-18(21)15-23(26)30(28,29)20-11-9-19(10-12-20)25-22(27)13-8-17-5-4-14-24-16-17/h2-16H,1H3,(H,25,27)/b13-8+
InChIKeyXRGGAUVPWVWPOB-MDWZMJQESA-N
XLogP4.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10042892
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CID 9999118
3-(benzylsulfonyl)-N-benzyl-N-methyl-indole-1-acetamide
CID 20911062
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560665
8-(benzenesulfonyl)-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 45113658
9-Methyl-5-pyridin-2-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 57394332
(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 73350708
N-cyclohexyl-2-(1H-indol-3-ylsulfonyl)acetamide
CID 751481
N-cyclohexyl-2-[(1-ethyl-1H-indol-3-yl)sulfonyl]acetamide
CID 751500
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-ylsulfonyl)ethanone
CID 2053096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
CID 2053102

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70978501) is (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is Cn1c(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc2ccccc21.
What is the InChIKey of (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is XRGGAUVPWVWPOB-MDWZMJQESA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-26-21-7-3-2-6-18(21)15-23(26)30(28,29)20-11-9-19(10-12-20)25-22(27)13-8-17-5-4-14-24-16-17/h2-16H,1H3,(H,25,27)/b13-8+.
What are the key properties of (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 417.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-methylindol-2-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70978501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).