methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate

C16H16N2O4S — CID 134803455

IUPACmethyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C16H16N2O4S/c1-22-15(20)9-17-14(19)8-18-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyHIFBVUPSBAYFRL-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate

methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate (PubChem CID 134803455) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate
PubChem CID134803455
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Namemethyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C16H16N2O4S/c1-22-15(20)9-17-14(19)8-18-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyHIFBVUPSBAYFRL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate with MolForge

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Related Compounds

{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 4788028
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
CID 1436831
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate (CID 134803455) is methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)c1cccc(-c2ccsc2)c1.
What is the InChIKey of methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate?
The InChIKey is HIFBVUPSBAYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-15(20)9-17-14(19)8-18-16(21)12-4-2-3-11(7-12)13-5-6-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,21).
What are the key properties of methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate?
methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate has a molecular weight of 332.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3-thiophen-3-ylbenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 134803455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).