methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate

C10H14N2O3S — CID 898958

IUPACmethyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(N)=O
InChIInChI=1S/C10H14N2O3S/c1-4-6-5(2)16-9(7(6)8(11)13)12-10(14)15-3/h4H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyZUUNJWYRTBKLHE-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.90
Rot. Bonds3

About methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate

methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate (PubChem CID 898958) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate
PubChem CID898958
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(N)=O
InChIInChI=1S/C10H14N2O3S/c1-4-6-5(2)16-9(7(6)8(11)13)12-10(14)15-3/h4H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyZUUNJWYRTBKLHE-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate?
The IUPAC name of methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate (CID 898958) is methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate.
What is the SMILES notation for methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate?
The canonical SMILES for methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate is CCc1c(C)sc(NC(=O)OC)c1C(N)=O.
What is the InChIKey of methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate?
The InChIKey is ZUUNJWYRTBKLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-6-5(2)16-9(7(6)8(11)13)12-10(14)15-3/h4H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate?
methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate has a molecular weight of 242.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamate is sourced from PubChem (CID 898958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).