N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide

C21H18ClN3O3S — CID 6011924

IUPACN-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H18ClN3O3S/c1-13(24-25-20(26)17-12-15(22)8-9-18(17)28-2)14-5-3-6-16(11-14)23-21(27)19-7-4-10-29-19/h3-12H,1-2H3,(H,23,27)(H,25,26)/b24-13-
InChIKeyBFKRCQPMZLRBJU-CFRMEGHHSA-N
MW427.91 g/mol
LogP4.82
Rot. Bonds6

About N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide

N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide (PubChem CID 6011924) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
PubChem CID6011924
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC NameN-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H18ClN3O3S/c1-13(24-25-20(26)17-12-15(22)8-9-18(17)28-2)14-5-3-6-16(11-14)23-21(27)19-7-4-10-29-19/h3-12H,1-2H3,(H,23,27)(H,25,26)/b24-13-
InChIKeyBFKRCQPMZLRBJU-CFRMEGHHSA-N
XLogP4.82
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-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

5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 3362887
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
N-[1-[3-(thiophene-2-carbonylamino)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 4622644
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[(3-acetylphenyl)carbamothioyl]-5-chloro-2-methoxybenzamide
CID 1227606
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide (CID 6011924) is N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide is COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is BFKRCQPMZLRBJU-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-13(24-25-20(26)17-12-15(22)8-9-18(17)28-2)14-5-3-6-16(11-14)23-21(27)19-7-4-10-29-19/h3-12H,1-2H3,(H,23,27)(H,25,26)/b24-13-.
What are the key properties of N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6011924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).