N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide

C16H15FN2O3S — CID 132591186

IUPACN-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)ccc1OCc1ccccc1F
InChIInChI=1S/C16H15FN2O3S/c1-21-14-8-10(15(20)19-16(18)23)6-7-13(14)22-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H3,18,19,20,23)
InChIKeyUBBADLXHRZASDY-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.39
Rot. Bonds5

About N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide

N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 132591186) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
PubChem CID132591186
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)ccc1OCc1ccccc1F
InChIInChI=1S/C16H15FN2O3S/c1-21-14-8-10(15(20)19-16(18)23)6-7-13(14)22-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H3,18,19,20,23)
InChIKeyUBBADLXHRZASDY-UHFFFAOYSA-N
XLogP2.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 132591182
[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 7698046
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-fluorobenzamide
CID 4950541
N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126316627
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide (CID 132591186) is N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)NC(N)=S)ccc1OCc1ccccc1F.
What is the InChIKey of N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is UBBADLXHRZASDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-21-14-8-10(15(20)19-16(18)23)6-7-13(14)22-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H3,18,19,20,23).
What are the key properties of N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide?
N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 334.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 132591186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).