methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate

C14H20N2O4S — CID 1245144

IUPACmethyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-4-10-9(2)21-12(15-14(18)19-3)11(10)13(17)16-5-7-20-8-6-16/h4-8H2,1-3H3,(H,15,18)
InChIKeyIEPPBIBXFCQZJN-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.27
Rot. Bonds3

About methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate

methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate (PubChem CID 1245144) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate
PubChem CID1245144
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-4-10-9(2)21-12(15-14(18)19-3)11(10)13(17)16-5-7-20-8-6-16/h4-8H2,1-3H3,(H,15,18)
InChIKeyIEPPBIBXFCQZJN-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate?
The IUPAC name of methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate (CID 1245144) is methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate?
The canonical SMILES for methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate is CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1.
What is the InChIKey of methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate?
The InChIKey is IEPPBIBXFCQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-10-9(2)21-12(15-14(18)19-3)11(10)13(17)16-5-7-20-8-6-16/h4-8H2,1-3H3,(H,15,18).
What are the key properties of methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate?
methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 1245144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).