2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid

C15H16N2O3S — CID 63114756

IUPAC2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCC(NC(=O)Nc1sccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-2-12(10-6-4-3-5-7-10)16-15(20)17-13-11(14(18)19)8-9-21-13/h3-9,12H,2H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMYUHGUUDTWDKGL-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.72
Rot. Bonds5

About 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid

2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63114756) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63114756
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCC(NC(=O)Nc1sccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-2-12(10-6-4-3-5-7-10)16-15(20)17-13-11(14(18)19)8-9-21-13/h3-9,12H,2H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMYUHGUUDTWDKGL-UHFFFAOYSA-N
XLogP3.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoylamino]thiophene-3-carboxylic acid
CID 63114207
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid (CID 63114756) is 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid is CCC(NC(=O)Nc1sccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is MYUHGUUDTWDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-12(10-6-4-3-5-7-10)16-15(20)17-13-11(14(18)19)8-9-21-13/h3-9,12H,2H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63114756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).