2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid

C15H14N2O3S — CID 63114828

IUPAC2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CC1c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-14(19)10-6-7-21-13(10)17-15(20)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,18,19)(H2,16,17,20)
InChIKeyQCEMHURSSZZXHE-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.12
Rot. Bonds4

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

2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114828) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114828
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)NC1CC1c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-14(19)10-6-7-21-13(10)17-15(20)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,18,19)(H2,16,17,20)
InChIKeyQCEMHURSSZZXHE-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63114828) is 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)NC1CC1c1ccccc1.
What is the InChIKey of 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is QCEMHURSSZZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(19)10-6-7-21-13(10)17-15(20)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).