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

C20H20N2O3S — CID 17390889

IUPAC(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CC1
InChIInChI=1S/C20H20N2O3S/c23-20(21-17-8-9-17)12-7-15-5-10-18(11-6-15)26(24,25)22-14-13-16-3-1-2-4-19(16)22/h1-7,10-12,17H,8-9,13-14H2,(H,21,23)/b12-7+
InChIKeyINUKIKQTTIMZRY-KPKJPENVSA-N
MW368.46 g/mol
LogP2.73
Rot. Bonds5

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

(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide (PubChem CID 17390889) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
PubChem CID17390889
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CC1
InChIInChI=1S/C20H20N2O3S/c23-20(21-17-8-9-17)12-7-15-5-10-18(11-6-15)26(24,25)22-14-13-16-3-1-2-4-19(16)22/h1-7,10-12,17H,8-9,13-14H2,(H,21,23)/b12-7+
InChIKeyINUKIKQTTIMZRY-KPKJPENVSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.73
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-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
N-cycloheptyl-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enamide
CID 4648307
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
4-[(E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2579481
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 2612003
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 2611960
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide (CID 17390889) is (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
The InChIKey is INUKIKQTTIMZRY-KPKJPENVSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-20(21-17-8-9-17)12-7-15-5-10-18(11-6-15)26(24,25)22-14-13-16-3-1-2-4-19(16)22/h1-7,10-12,17H,8-9,13-14H2,(H,21,23)/b12-7+.
What are the key properties of (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide?
(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide has a molecular weight of 368.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 17390889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).