3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide

C24H18ClN3OS — CID 5172724

IUPAC3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3sc4ccccc4c3Cl)ccc21
InChIInChI=1S/C24H18ClN3OS/c1-2-28-19-9-5-3-7-16(19)18-13-15(11-12-20(18)28)14-26-27-24(29)23-22(25)17-8-4-6-10-21(17)30-23/h3-14H,2H2,1H3,(H,27,29)
InChIKeyMYDIMJRYYYSCEP-UHFFFAOYSA-N
MW431.95 g/mol
LogP6.45
Rot. Bonds4

About 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide

3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide (PubChem CID 5172724) has the molecular formula C24H18ClN3OS and a molecular weight of 431.95 g/mol. Its IUPAC name is 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
PubChem CID5172724
Molecular FormulaC24H18ClN3OS
Molecular Weight431.95 g/mol
Exact Mass431.09
IUPAC Name3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3sc4ccccc4c3Cl)ccc21
InChIInChI=1S/C24H18ClN3OS/c1-2-28-19-9-5-3-7-16(19)18-13-15(11-12-20(18)28)14-26-27-24(29)23-22(25)17-8-4-6-10-21(17)30-23/h3-14H,2H2,1H3,(H,27,29)
InChIKeyMYDIMJRYYYSCEP-UHFFFAOYSA-N
XLogP6.45
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.95
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
3-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 899677
3-chloro-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135688769
3-chloro-N-[(4-ethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 4689415
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
3-chloro-N-[(4-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 968649
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
3-chloro-N-[(3-fluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5011440
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 6894162
3-chloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6018383
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 4134979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide (CID 5172724) is 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide is CCn1c2ccccc2c2cc(C=NNC(=O)c3sc4ccccc4c3Cl)ccc21.
What is the InChIKey of 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide?
The InChIKey is MYDIMJRYYYSCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3OS/c1-2-28-19-9-5-3-7-16(19)18-13-15(11-12-20(18)28)14-26-27-24(29)23-22(25)17-8-4-6-10-21(17)30-23/h3-14H,2H2,1H3,(H,27,29).
What are the key properties of 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide has a molecular weight of 431.95 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 5172724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).