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

C23H20N2O4S — CID 176654228

IUPAC[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)C3=CC=CS3=O)cc2c2cc(C(C)=NOC(C)=O)ccc21
InChIInChI=1S/C23H20N2O4S/c1-4-25-20-9-7-16(14(2)24-29-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-30(22)28/h5-13H,4H2,1-3H3
InChIKeyXCMYPOKKJIWQMA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.44
Rot. Bonds5

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

[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 176654228) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID176654228
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)C3=CC=CS3=O)cc2c2cc(C(C)=NOC(C)=O)ccc21
InChIInChI=1S/C23H20N2O4S/c1-4-25-20-9-7-16(14(2)24-29-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-30(22)28/h5-13H,4H2,1-3H3
InChIKeyXCMYPOKKJIWQMA-UHFFFAOYSA-N
XLogP4.44
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.44
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

[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
(E)-3-[6-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-9-ethylcarbazol-3-yl]-2-methylprop-2-enoic acid
CID 88880581
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 87235577
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 134602918
[1-(6-benzoyl-9-ethylcarbazol-3-yl)octa-2,4,6-triynylideneamino] acetate
CID 59148525
[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate
CID 153428079
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
[(E)-1-[6-amino-9-(3-methylbutyl)carbazol-3-yl]ethylideneamino] acetate
CID 88950524
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083

Frequently Asked Questions

What is the IUPAC name of [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate (CID 176654228) is [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(C(=O)C3=CC=CS3=O)cc2c2cc(C(C)=NOC(C)=O)ccc21.
What is the InChIKey of [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is XCMYPOKKJIWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-4-25-20-9-7-16(14(2)24-29-15(3)26)12-18(20)19-13-17(8-10-21(19)25)23(27)22-6-5-11-30(22)28/h5-13H,4H2,1-3H3.
What are the key properties of [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate?
[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 420.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 176654228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).