[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate

C23H20N2O3S — CID 89111826

IUPAC[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(C)=N/OC(C)=O)ccc21
InChIInChI=1S/C23H20N2O3S/c1-4-25-20-9-7-16(14(2)24-28-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-29-22/h5-13H,4H2,1-3H3/b24-14+
InChIKeyIXQIBZMFSXMFBJ-ZVHZXABRSA-N
MW404.49 g/mol
LogP5.39
Rot. Bonds5

About [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate

[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 89111826) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID89111826
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(C)=N/OC(C)=O)ccc21
InChIInChI=1S/C23H20N2O3S/c1-4-25-20-9-7-16(14(2)24-28-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-29-22/h5-13H,4H2,1-3H3/b24-14+
InChIKeyIXQIBZMFSXMFBJ-ZVHZXABRSA-N
XLogP5.39
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]butylidene]amino] acetate
CID 59500062
[(E)-[(5E)-5-acetyloxyimino-1-[9-ethyl-6-[hydroxy(thiophen-2-yl)methyl]carbazol-3-yl]-5-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]pentylidene]amino] acetate
CID 166654186
[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
CID 172920003
[(E)-1-[4-[3-[(Z)-N-acetyloxy-C-[(9Z)-9-acetyloxyimino-9-[9-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]-6-(thiophene-2-carbonyl)carbazol-3-yl]nonyl]carbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59271180
[6-[C-(chloromethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-thiophen-2-ylmethanone
CID 142711765
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
2,4-bis[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]pentan-3-one
CID 174482837
[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 176654228
[9-(2-ethoxyethyl)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 118109530
[9-(2-hydroxyethyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 156761518
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
[1-[4-[3-[(E)-C-[2-[acetyl(acetyloxy)amino]propyl]-N-acetyloxycarbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59349774

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate (CID 89111826) is [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(C(=O)c3cccs3)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.
What is the InChIKey of [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is IXQIBZMFSXMFBJ-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-4-25-20-9-7-16(14(2)24-28-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-29-22/h5-13H,4H2,1-3H3/b24-14+.
What are the key properties of [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 404.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 89111826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).