methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate

C11H14N2O4S — CID 43409771

IUPACmethyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C11H14N2O4S/c1-7(14)12-9-5-4-8(18-9)11(16)13(2)6-10(15)17-3/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyQCBVHHORMLWFDN-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate

methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate (PubChem CID 43409771) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate
PubChem CID43409771
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Namemethyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C11H14N2O4S/c1-7(14)12-9-5-4-8(18-9)11(16)13(2)6-10(15)17-3/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyQCBVHHORMLWFDN-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
CID 55135924
5-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 43572932
5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18144110
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9089320
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135886880
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912
methyl 2-[(4-chlorophenyl)methyl-[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]acetate
CID 87005816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate (CID 43409771) is methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(NC(C)=O)s1.
What is the InChIKey of methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate?
The InChIKey is QCBVHHORMLWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7(14)12-9-5-4-8(18-9)11(16)13(2)6-10(15)17-3/h4-5H,6H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate?
methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate has a molecular weight of 270.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 43409771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).