methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate

C16H14F2N2O4S — CID 30670553

IUPACmethyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4S/c1-24-16(23)14-12(5-7-25-14)20-13(21)4-6-19-15(22)10-3-2-9(17)8-11(10)18/h2-3,5,7-8H,4,6H2,1H3,(H,19,22)(H,20,21)
InChIKeySELOVFAFNFRZLS-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.57
Rot. Bonds6

About methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate

methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate (PubChem CID 30670553) has the molecular formula C16H14F2N2O4S and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
PubChem CID30670553
Molecular FormulaC16H14F2N2O4S
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC Namemethyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4S/c1-24-16(23)14-12(5-7-25-14)20-13(21)4-6-19-15(22)10-3-2-9(17)8-11(10)18/h2-3,5,7-8H,4,6H2,1H3,(H,19,22)(H,20,21)
InChIKeySELOVFAFNFRZLS-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate 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

methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26811616
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 46559091
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate (CID 30670553) is methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate?
The InChIKey is SELOVFAFNFRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4S/c1-24-16(23)14-12(5-7-25-14)20-13(21)4-6-19-15(22)10-3-2-9(17)8-11(10)18/h2-3,5,7-8H,4,6H2,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate?
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 30670553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).