(2-iodophenyl)-thiophen-2-ylcarbamic acid

C11H8INO2S — CID 175420370

IUPAC(2-iodophenyl)-thiophen-2-ylcarbamic acid
SMILESO=C(O)N(c1cccs1)c1ccccc1I
InChIInChI=1S/C11H8INO2S/c12-8-4-1-2-5-9(8)13(11(14)15)10-6-3-7-16-10/h1-7H,(H,14,15)
InChIKeyWMZMCTOAGGVGTD-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.17
Rot. Bonds2

About (2-iodophenyl)-thiophen-2-ylcarbamic acid

(2-iodophenyl)-thiophen-2-ylcarbamic acid (PubChem CID 175420370) has the molecular formula C11H8INO2S and a molecular weight of 345.16 g/mol. Its IUPAC name is (2-iodophenyl)-thiophen-2-ylcarbamic acid.

Molecular Properties

Compound Name(2-iodophenyl)-thiophen-2-ylcarbamic acid
PubChem CID175420370
Molecular FormulaC11H8INO2S
Molecular Weight345.16 g/mol
Exact Mass344.93
IUPAC Name(2-iodophenyl)-thiophen-2-ylcarbamic acid
SMILESO=C(O)N(c1cccs1)c1ccccc1I
InChIInChI=1S/C11H8INO2S/c12-8-4-1-2-5-9(8)13(11(14)15)10-6-3-7-16-10/h1-7H,(H,14,15)
InChIKeyWMZMCTOAGGVGTD-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
CID 175420366
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
N-hydroxy-N-(2-iodophenyl)benzamide
CID 13226844
3-diazo-1-phenyl-1-thiophen-2-ylurea
CID 151516655
N-(2-iodophenyl)-N-methylpropanamide
CID 15063897
N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
CID 122384711
but-2-ynyl(thiophen-2-yl)carbamic acid
CID 154411507
N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
CID 165178391
N-(2-chloro-4-hydroxyphenyl)-N-thiophen-2-ylacetamide
CID 70449677
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
N-(2-bromophenyl)-N-phenylthiophen-2-amine
CID 155666006
(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
CID 90422752

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-thiophen-2-ylcarbamic acid?
The IUPAC name of (2-iodophenyl)-thiophen-2-ylcarbamic acid (CID 175420370) is (2-iodophenyl)-thiophen-2-ylcarbamic acid.
What is the SMILES notation for (2-iodophenyl)-thiophen-2-ylcarbamic acid?
The canonical SMILES for (2-iodophenyl)-thiophen-2-ylcarbamic acid is O=C(O)N(c1cccs1)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-thiophen-2-ylcarbamic acid?
The InChIKey is WMZMCTOAGGVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO2S/c12-8-4-1-2-5-9(8)13(11(14)15)10-6-3-7-16-10/h1-7H,(H,14,15).
What are the key properties of (2-iodophenyl)-thiophen-2-ylcarbamic acid?
(2-iodophenyl)-thiophen-2-ylcarbamic acid has a molecular weight of 345.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-thiophen-2-ylcarbamic acid is sourced from PubChem (CID 175420370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).