(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide

C23H19BrN2O3S — CID 137433207

IUPAC(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H19BrN2O3S/c24-19-8-5-17(6-9-19)7-14-23(27)25-20-10-12-21(13-11-20)30(28,29)26-16-15-18-3-1-2-4-22(18)26/h1-14H,15-16H2,(H,25,27)/b14-7+
InChIKeyRVHIUWBAHSZGDV-VGOFMYFVSA-N
MW483.39 g/mol
LogP4.85
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide (PubChem CID 137433207) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
PubChem CID137433207
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC Name(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H19BrN2O3S/c24-19-8-5-17(6-9-19)7-14-23(27)25-20-10-12-21(13-11-20)30(28,29)26-16-15-18-3-1-2-4-22(18)26/h1-14H,15-16H2,(H,25,27)/b14-7+
InChIKeyRVHIUWBAHSZGDV-VGOFMYFVSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1291625
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 17390889
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
(E)-3-(4-bromophenyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]prop-2-enamide;(E)-3-(4-bromophenyl)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]prop-2-enamide;(E)-3-(2-bromophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide;(E)-3-(3-bromophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide;(E)-3-(4-bromophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide;(E)-3-(2,6-dibromophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 159655190
(E)-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176205
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 4235920
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
[1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 42970548

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide (CID 137433207) is (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The InChIKey is RVHIUWBAHSZGDV-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c24-19-8-5-17(6-9-19)7-14-23(27)25-20-10-12-21(13-11-20)30(28,29)26-16-15-18-3-1-2-4-22(18)26/h1-14H,15-16H2,(H,25,27)/b14-7+.
What are the key properties of (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide has a molecular weight of 483.39 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 137433207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).