2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide

C14H10FN3O2S — CID 25137992

IUPAC2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C14H10FN3O2S/c15-9-3-1-2-8(6-9)4-5-10-7-11(12(16)19)13(21-10)18-14(17)20/h1-3,6-7H,(H2,16,19)(H3,17,18,20)
InChIKeyVCCYPLIBDGRMRB-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.88
Rot. Bonds2

About 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide (PubChem CID 25137992) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
PubChem CID25137992
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C14H10FN3O2S/c15-9-3-1-2-8(6-9)4-5-10-7-11(12(16)19)13(21-10)18-14(17)20/h1-3,6-7H,(H2,16,19)(H3,17,18,20)
InChIKeyVCCYPLIBDGRMRB-UHFFFAOYSA-N
XLogP1.88
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tpca-1
CID 9903786
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(Carbamoylamino)-5-[2-(thiophen-3-yl)ethynyl]thiophene-3-carboxamide
CID 25137988
2-(Carbamoylamino)-5-[2-(2-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137993
2-(Carbamoylamino)-5-[2-(2-methylphenyl)ethynyl]thiophene-3-carboxamide
CID 25137995
2-(Carbamoylamino)-5-(2-cyclopropylethynyl)thiophene-3-carboxamide
CID 25137997
5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
5-[2-(3-Benzamidophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25138002
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
2-(Carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide (CID 25137992) is 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide is NC(=O)Nc1sc(C#Cc2cccc(F)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide?
The InChIKey is VCCYPLIBDGRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-9-3-1-2-8(6-9)4-5-10-7-11(12(16)19)13(21-10)18-14(17)20/h1-3,6-7H,(H2,16,19)(H3,17,18,20).
What are the key properties of 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide is sourced from PubChem (CID 25137992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).