methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate

C17H18N2O5S — CID 143406635

IUPACmethyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(CNC(=O)OCc2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-15(20)10-18-16(21)13-6-4-12(5-7-13)9-19-17(22)24-11-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyIUSIIOYCKCEDCH-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.08
Rot. Bonds7

About methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate

methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate (PubChem CID 143406635) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate
PubChem CID143406635
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(CNC(=O)OCc2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-15(20)10-18-16(21)13-6-4-12(5-7-13)9-19-17(22)24-11-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyIUSIIOYCKCEDCH-UHFFFAOYSA-N
XLogP2.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate with MolForge

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Related Compounds

thiophen-2-ylmethyl N-[[4-[[(2S)-1-(hydroxyamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]carbamate
CID 59369733
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
thiophen-2-ylmethyl N-[[4-[(2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carbonyl]phenyl]methyl]carbamate
CID 59369722
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
methyl 4-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111162312

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate (CID 143406635) is methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(CNC(=O)OCc2cccs2)cc1.
What is the InChIKey of methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate?
The InChIKey is IUSIIOYCKCEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-15(20)10-18-16(21)13-6-4-12(5-7-13)9-19-17(22)24-11-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate?
methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate has a molecular weight of 362.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate is sourced from PubChem (CID 143406635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).