methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate

C22H19FN2O4S — CID 55781537

IUPACmethyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-29-21(27)13-24-20(26)12-14-2-8-17(9-3-14)25-22(28)19-11-10-18(30-19)15-4-6-16(23)7-5-15/h2-11H,12-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyUDQZJKBVAQIPMR-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.64
Rot. Bonds7

About methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 55781537) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID55781537
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Namemethyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-29-21(27)13-24-20(26)12-14-2-8-17(9-3-14)25-22(28)19-11-10-18(30-19)15-4-6-16(23)7-5-15/h2-11H,12-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyUDQZJKBVAQIPMR-UHFFFAOYSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
methyl 2-[[2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]acetyl]amino]acetate
CID 55964096
methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986062
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 18282772
methyl 2-[[2-[4-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555908
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 55781537) is methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is UDQZJKBVAQIPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-29-21(27)13-24-20(26)12-14-2-8-17(9-3-14)25-22(28)19-11-10-18(30-19)15-4-6-16(23)7-5-15/h2-11H,12-13H2,1H3,(H,24,26)(H,25,28).
What are the key properties of methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).