2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid

C12H18N2O3S — CID 63113469

IUPAC2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCN(CCC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-6-14(7-4-2)12(17)13-10-9(11(15)16)5-8-18-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPDADCVPWADSQDG-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.10
Rot. Bonds6

About 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid

2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63113469) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63113469
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCN(CCC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-6-14(7-4-2)12(17)13-10-9(11(15)16)5-8-18-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPDADCVPWADSQDG-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 112662438
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid (CID 63113469) is 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid is CCCN(CCC)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is PDADCVPWADSQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-6-14(7-4-2)12(17)13-10-9(11(15)16)5-8-18-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63113469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).