N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide

C24H22N2O3S — CID 73382048

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3S/c27-24(17-12-19-7-2-1-3-8-19)25-21-13-15-22(16-14-21)30(28,29)26-18-6-10-20-9-4-5-11-23(20)26/h1-5,7-9,11-17H,6,10,18H2,(H,25,27)
InChIKeyGTYQZQUZQFUDLD-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds5

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 73382048) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
PubChem CID73382048
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3S/c27-24(17-12-19-7-2-1-3-8-19)25-21-13-15-22(16-14-21)30(28,29)26-18-6-10-20-9-4-5-11-23(20)26/h1-5,7-9,11-17H,6,10,18H2,(H,25,27)
InChIKeyGTYQZQUZQFUDLD-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
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)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 137433207
(E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1291625
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 17390889
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
(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
(2S)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]oxolane-2-carboxamide
CID 1246029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide (CID 73382048) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is GTYQZQUZQFUDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c27-24(17-12-19-7-2-1-3-8-19)25-21-13-15-22(16-14-21)30(28,29)26-18-6-10-20-9-4-5-11-23(20)26/h1-5,7-9,11-17H,6,10,18H2,(H,25,27).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 418.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 73382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).