2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid

C18H14N2O4S — CID 59767724

IUPAC2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1sccc1C(=O)O
InChIInChI=1S/C18H14N2O4S/c21-17(22)15-10-11-25-16(15)20-18(23)19-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H,(H,21,22)(H2,19,20,23)
InChIKeyDKHYBPGCJYZFHK-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.88
Rot. Bonds5

About 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 59767724) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID59767724
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1sccc1C(=O)O
InChIInChI=1S/C18H14N2O4S/c21-17(22)15-10-11-25-16(15)20-18(23)19-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H,(H,21,22)(H2,19,20,23)
InChIKeyDKHYBPGCJYZFHK-UHFFFAOYSA-N
XLogP4.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylate
CID 86626597
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139671784
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
2-benzamidothiophene-3-carboxylic acid
CID 16639461
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114756

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 59767724) is 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid is O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is DKHYBPGCJYZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-17(22)15-10-11-25-16(15)20-18(23)19-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-11H,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 59767724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).