[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid

C8H9NO4S — CID 172680009

IUPAC[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
SMILESCOc1csc(C(=O)CNC(=O)O)c1
InChIInChI=1S/C8H9NO4S/c1-13-5-2-7(14-4-5)6(10)3-9-8(11)12/h2,4,9H,3H2,1H3,(H,11,12)
InChIKeyAGMDAEDDDGUJMC-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.21
Rot. Bonds4

About [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid

[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid (PubChem CID 172680009) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
PubChem CID172680009
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
SMILESCOc1csc(C(=O)CNC(=O)O)c1
InChIInChI=1S/C8H9NO4S/c1-13-5-2-7(14-4-5)6(10)3-9-8(11)12/h2,4,9H,3H2,1H3,(H,11,12)
InChIKeyAGMDAEDDDGUJMC-UHFFFAOYSA-N
XLogP1.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-one
CID 114969694
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid (CID 172680009) is [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid is COc1csc(C(=O)CNC(=O)O)c1.
What is the InChIKey of [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid?
The InChIKey is AGMDAEDDDGUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-5-2-7(14-4-5)6(10)3-9-8(11)12/h2,4,9H,3H2,1H3,(H,11,12).
What are the key properties of [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid?
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid has a molecular weight of 215.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 172680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).