2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid

C12H19N3O4S — CID 63114576

IUPAC2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-15(6-7-19-2)5-4-13-12(18)14-10-9(11(16)17)3-8-20-10/h3,8H,4-7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyKFKQUSSHZKTTAY-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid

2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114576) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114576
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-15(6-7-19-2)5-4-13-12(18)14-10-9(11(16)17)3-8-20-10/h3,8H,4-7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyKFKQUSSHZKTTAY-UHFFFAOYSA-N
XLogP1.15
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277
2-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
CID 113465789
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid (CID 63114576) is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid is COCCN(C)CCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is KFKQUSSHZKTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15(6-7-19-2)5-4-13-12(18)14-10-9(11(16)17)3-8-20-10/h3,8H,4-7H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid?
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).