4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C19H24FN3OS — CID 163372690

IUPAC4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2sccc2C)cc1F
InChIInChI=1S/C19H24FN3OS/c1-6-22(4)12-21-17-9-14(3)15(10-16(17)20)19(24)23(5)11-18-13(2)7-8-25-18/h7-10,12H,6,11H2,1-5H3/b21-12+
InChIKeyJAELVVFFUYRDCC-CIAFOILYSA-N
MW361.49 g/mol
LogP4.39
Rot. Bonds6

About 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 163372690) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID163372690
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2sccc2C)cc1F
InChIInChI=1S/C19H24FN3OS/c1-6-22(4)12-21-17-9-14(3)15(10-16(17)20)19(24)23(5)11-18-13(2)7-8-25-18/h7-10,12H,6,11H2,1-5H3/b21-12+
InChIKeyJAELVVFFUYRDCC-CIAFOILYSA-N
XLogP4.39
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655934
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 163372573
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N,2-dimethyl-5-(methylsulfamoyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 51328637
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 163372690) is 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is CCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2sccc2C)cc1F.
What is the InChIKey of 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is JAELVVFFUYRDCC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-6-22(4)12-21-17-9-14(3)15(10-16(17)20)19(24)23(5)11-18-13(2)7-8-25-18/h7-10,12H,6,11H2,1-5H3/b21-12+.
What are the key properties of 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 163372690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).