N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide

C20H16FN3O2S — CID 4165688

IUPACN-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16FN3O2S/c1-13(23-24-19(25)16-5-2-3-6-17(16)21)14-8-10-15(11-9-14)22-20(26)18-7-4-12-27-18/h2-12H,1H3,(H,22,26)(H,24,25)
InChIKeyYUUSHNVJZCZQDZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.29
Rot. Bonds5

About N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide

N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide (PubChem CID 4165688) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
PubChem CID4165688
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16FN3O2S/c1-13(23-24-19(25)16-5-2-3-6-17(16)21)14-8-10-15(11-9-14)22-20(26)18-7-4-12-27-18/h2-12H,1H3,(H,22,26)(H,24,25)
InChIKeyYUUSHNVJZCZQDZ-UHFFFAOYSA-N
XLogP4.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.29
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'}

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Related Compounds

N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 19685568
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6085732
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
5-methyl-N-[1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 5075954
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide (CID 4165688) is N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide is CC(=NNC(=O)c1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YUUSHNVJZCZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-13(23-24-19(25)16-5-2-3-6-17(16)21)14-8-10-15(11-9-14)22-20(26)18-7-4-12-27-18/h2-12H,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide?
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4165688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).