N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide

C22H23N3O2S — CID 5431602

IUPACN-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H23N3O2S/c1-14(15-8-7-9-16(12-15)23-21(27)22(2,3)4)24-25-20(26)18-13-28-19-11-6-5-10-17(18)19/h5-13H,1-4H3,(H,23,27)(H,25,26)/b24-14-
InChIKeySATCCSNULFFWHA-OYKKKHCWSA-N
MW393.51 g/mol
LogP5.04
Rot. Bonds4

About N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide

N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide (PubChem CID 5431602) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
PubChem CID5431602
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H23N3O2S/c1-14(15-8-7-9-16(12-15)23-21(27)22(2,3)4)24-25-20(26)18-13-28-19-11-6-5-10-17(18)19/h5-13H,1-4H3,(H,23,27)(H,25,26)/b24-14-
InChIKeySATCCSNULFFWHA-OYKKKHCWSA-N
XLogP5.04
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
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'}

Analyze N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
N-[3-[(E)-N-[(3,5-dihydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17349525
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032132
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2-hydroxy-N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 25237435
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide (CID 5431602) is N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide is C/C(=N/NC(=O)c1csc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
The InChIKey is SATCCSNULFFWHA-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14(15-8-7-9-16(12-15)23-21(27)22(2,3)4)24-25-20(26)18-13-28-19-11-6-5-10-17(18)19/h5-13H,1-4H3,(H,23,27)(H,25,26)/b24-14-.
What are the key properties of N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide?
N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 5431602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).