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

C14H11N3O3S — CID 25137996

IUPAC2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2cccc(O)c2)cc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-12(19)11-7-10(21-13(11)17-14(16)20)5-4-8-2-1-3-9(18)6-8/h1-3,6-7,18H,(H2,15,19)(H3,16,17,20)
InChIKeyDGOQYOJFGQZHIB-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.44
Rot. Bonds2

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

2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide (PubChem CID 25137996) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide
PubChem CID25137996
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2cccc(O)c2)cc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-12(19)11-7-10(21-13(11)17-14(16)20)5-4-8-2-1-3-9(18)6-8/h1-3,6-7,18H,(H2,15,19)(H3,16,17,20)
InChIKeyDGOQYOJFGQZHIB-UHFFFAOYSA-N
XLogP1.44
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide (CID 25137996) is 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide is NC(=O)Nc1sc(C#Cc2cccc(O)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide?
The InChIKey is DGOQYOJFGQZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-12(19)11-7-10(21-13(11)17-14(16)20)5-4-8-2-1-3-9(18)6-8/h1-3,6-7,18H,(H2,15,19)(H3,16,17,20).
What are the key properties of 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-(3-hydroxyphenyl)ethynyl]thiophene-3-carboxamide is sourced from PubChem (CID 25137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).