methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate

C16H16N2O4S — CID 112999942

IUPACmethyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)10-17-14(19)9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNXADFKYKCUPDAE-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.83
Rot. Bonds6

About methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate

methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate (PubChem CID 112999942) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
PubChem CID112999942
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Namemethyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)10-17-14(19)9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNXADFKYKCUPDAE-UHFFFAOYSA-N
XLogP1.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate (CID 112999942) is methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate?
The InChIKey is NXADFKYKCUPDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)10-17-14(19)9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate?
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate has a molecular weight of 332.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 112999942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).