2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid

C16H12N2O3S — CID 16771814

IUPAC2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)Nc1cccc2ccccc12
InChIInChI=1S/C16H12N2O3S/c19-15(20)12-8-9-22-14(12)18-16(21)17-13-7-3-5-10-4-1-2-6-11(10)13/h1-9H,(H,19,20)(H2,17,18,21)
InChIKeyAOHBGYVSHBNVIW-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.24
Rot. Bonds3

About 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid

2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 16771814) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID16771814
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)Nc1cccc2ccccc12
InChIInChI=1S/C16H12N2O3S/c19-15(20)12-8-9-22-14(12)18-16(21)17-13-7-3-5-10-4-1-2-6-11(10)13/h1-9H,(H,19,20)(H2,17,18,21)
InChIKeyAOHBGYVSHBNVIW-UHFFFAOYSA-N
XLogP4.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-benzamidothiophene-3-carboxylic acid
CID 16639461
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 102854176
2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113787
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 16771814) is 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is AOHBGYVSHBNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(20)12-8-9-22-14(12)18-16(21)17-13-7-3-5-10-4-1-2-6-11(10)13/h1-9H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid?
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16771814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).