2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid

C13H18N2O4S2 — CID 63114405

IUPAC2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOCCN(C(=O)Nc1sccc1C(=O)O)C1CCSC1
InChIInChI=1S/C13H18N2O4S2/c1-19-5-4-15(9-2-6-20-8-9)13(18)14-11-10(12(16)17)3-7-21-11/h3,7,9H,2,4-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyLXRWSGTYYOODBA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.43
Rot. Bonds6

About 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114405) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114405
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOCCN(C(=O)Nc1sccc1C(=O)O)C1CCSC1
InChIInChI=1S/C13H18N2O4S2/c1-19-5-4-15(9-2-6-20-8-9)13(18)14-11-10(12(16)17)3-7-21-11/h3,7,9H,2,4-6,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyLXRWSGTYYOODBA-UHFFFAOYSA-N
XLogP2.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114576
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114405) is 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid is COCCN(C(=O)Nc1sccc1C(=O)O)C1CCSC1.
What is the InChIKey of 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is LXRWSGTYYOODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-19-5-4-15(9-2-6-20-8-9)13(18)14-11-10(12(16)17)3-7-21-11/h3,7,9H,2,4-6,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).