ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate

C13H18N2O4S — CID 9324265

IUPACethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)c1ccc(C)s1
InChIInChI=1S/C13H18N2O4S/c1-4-15(8-11(16)14-13(18)19-5-2)12(17)10-7-6-9(3)20-10/h6-7H,4-5,8H2,1-3H3,(H,14,16,18)
InChIKeyOKADRWRLORMCJG-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.79
Rot. Bonds5

About ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate

ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate (PubChem CID 9324265) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
PubChem CID9324265
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Nameethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)c1ccc(C)s1
InChIInChI=1S/C13H18N2O4S/c1-4-15(8-11(16)14-13(18)19-5-2)12(17)10-7-6-9(3)20-10/h6-7H,4-5,8H2,1-3H3,(H,14,16,18)
InChIKeyOKADRWRLORMCJG-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2628097
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ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
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N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
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ethyl (Z)-2-methyl-3-(5-methylthiophen-2-yl)but-2-enoate
CID 104503462
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
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ethyl N-[2-[[4-(difluoromethoxy)phenyl]carbamothioyl-ethylamino]acetyl]carbamate
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4,4-diethoxy-1-(5-methylthiophen-2-yl)butane-1,3-dione
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2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate (CID 9324265) is ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)C(=O)c1ccc(C)s1.
What is the InChIKey of ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate?
The InChIKey is OKADRWRLORMCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-15(8-11(16)14-13(18)19-5-2)12(17)10-7-6-9(3)20-10/h6-7H,4-5,8H2,1-3H3,(H,14,16,18).
What are the key properties of ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate?
ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate has a molecular weight of 298.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate is sourced from PubChem (CID 9324265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).