(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide

C23H26N2O3S — CID 51110283

IUPAC(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N2O3S/c1-3-24(18-13-14-29(27,28)16-18)23(26)12-10-17-9-11-22-20(15-17)19-7-5-6-8-21(19)25(22)4-2/h5-12,15,18H,3-4,13-14,16H2,1-2H3/b12-10+
InChIKeyOVGDLIITNMPKHV-ZRDIBKRKSA-N
MW410.54 g/mol
LogP3.86
Rot. Bonds5

About (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide

(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide (PubChem CID 51110283) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
PubChem CID51110283
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N2O3S/c1-3-24(18-13-14-29(27,28)16-18)23(26)12-10-17-9-11-22-20(15-17)19-7-5-6-8-21(19)25(22)4-2/h5-12,15,18H,3-4,13-14,16H2,1-2H3/b12-10+
InChIKeyOVGDLIITNMPKHV-ZRDIBKRKSA-N
XLogP3.86
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 86896908
(E)-3-(3,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 51144965
3-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 78789206
(E)-3-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(naphthalen-1-ylmethyl)prop-2-enamide
CID 40851200
(E)-3-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylprop-2-enamide
CID 42929616
ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate
CID 72684622
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
(E)-N-(1,1-dioxothiolan-3-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-propylprop-2-enamide
CID 55330276
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(E)-N-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 6224010
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide (CID 51110283) is (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC)C1CCS(=O)(=O)C1.
What is the InChIKey of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The InChIKey is OVGDLIITNMPKHV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-24(18-13-14-29(27,28)16-18)23(26)12-10-17-9-11-22-20(15-17)19-7-5-6-8-21(19)25(22)4-2/h5-12,15,18H,3-4,13-14,16H2,1-2H3/b12-10+.
What are the key properties of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide has a molecular weight of 410.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide is sourced from PubChem (CID 51110283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).