2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C12H18N2O4S — CID 55177894

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCCCN(CCO)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-3-5-14(6-7-15)12(18)13-10-9(11(16)17)4-8-19-10/h4,8,15H,2-3,5-7H2,1H3,(H,13,18)(H,16,17)
InChIKeySCLKWKOXXGDXNA-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.07
Rot. Bonds7

About 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 55177894) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID55177894
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCCCN(CCO)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-3-5-14(6-7-15)12(18)13-10-9(11(16)17)4-8-19-10/h4,8,15H,2-3,5-7H2,1H3,(H,13,18)(H,16,17)
InChIKeySCLKWKOXXGDXNA-UHFFFAOYSA-N
XLogP2.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-(pentylamino)thiophene-3-carboxylic acid
CID 67837297
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 55177894) is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid is CCCCN(CCO)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is SCLKWKOXXGDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-3-5-14(6-7-15)12(18)13-10-9(11(16)17)4-8-19-10/h4,8,15H,2-3,5-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55177894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).