4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid

C18H13NO3S — CID 23647302

IUPAC4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13NO3S/c20-17(15-10-23-11-16(15)18(21)22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,19,20)(H,21,22)
InChIKeyJIOAMSRJXCEGNS-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.37
Rot. Bonds4

About 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid

4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid (PubChem CID 23647302) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid
PubChem CID23647302
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13NO3S/c20-17(15-10-23-11-16(15)18(21)22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,19,20)(H,21,22)
InChIKeyJIOAMSRJXCEGNS-UHFFFAOYSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-phenylphenyl)carbamoyl]thiophene-2-carboxylic Acid
CID 9861992
NEP inhibitor, 6k
CID 9797197
4-({3-[(2-Thienylcarbonyl)amino]benzoyl}amino)benzoic acid
CID 1358145
3-[(4-Methylbenzoyl)amino]-5-thiophen-3-ylbenzoic acid
CID 164621154
3-[(Biphenyl-4-ylcarbonyl)amino]thiophene-2-carboxylic acid
CID 9949115
2-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 728434
4-({3-[(2-Thienylacetyl)amino]benzoyl}amino)benzoic acid
CID 1026571
3-{[3-(2-Thienylcarbonylamino)phenyl]carbonylamino}benzoic acid
CID 1217028
3-({3-[(2-Thienylacetyl)amino]benzoyl}amino)benzoic acid
CID 1026629
4-[(4-Phenylbenzoyl)amino]thiophene-3-carboxylic acid
CID 76325568
3-[(4-Methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid
CID 164615134
3-[(4-Methylbenzoyl)amino]-5-(5-methylthiophen-2-yl)benzoic acid
CID 164620493

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid (CID 23647302) is 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid is O=C(O)c1cscc1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid?
The InChIKey is JIOAMSRJXCEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-17(15-10-23-11-16(15)18(21)22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid?
4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)carbamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 23647302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).