ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate

C14H20N2O4S — CID 61012379

IUPACethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-16(10-13(18)20-5-2)12(17)9-15(3)14(19)11-7-6-8-21-11/h6-8H,4-5,9-10H2,1-3H3
InChIKeyPETGEVMVRVFAPF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.23
Rot. Bonds7

About ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate

ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate (PubChem CID 61012379) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
PubChem CID61012379
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-16(10-13(18)20-5-2)12(17)9-15(3)14(19)11-7-6-8-21-11/h6-8H,4-5,9-10H2,1-3H3
InChIKeyPETGEVMVRVFAPF-UHFFFAOYSA-N
XLogP1.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79386751
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823
N,N-diethylthiophene-2-carboxamide
CID 962897
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
CID 69259223
CID 69259223
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate (CID 61012379) is ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate is CCOC(=O)CN(CC)C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate?
The InChIKey is PETGEVMVRVFAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-16(10-13(18)20-5-2)12(17)9-15(3)14(19)11-7-6-8-21-11/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate?
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate has a molecular weight of 312.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 61012379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).