5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide

C14H11N3O3S — CID 69354631

IUPAC5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2occ3ccccc23)cc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-12(18)9-5-10(21-13(9)17-14(16)19)11-8-4-2-1-3-7(8)6-20-11/h1-6H,(H2,15,18)(H3,16,17,19)
InChIKeyQBGYBTQAQUYNSR-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.75
Rot. Bonds3

About 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide

5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide (PubChem CID 69354631) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide
PubChem CID69354631
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2occ3ccccc23)cc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-12(18)9-5-10(21-13(9)17-14(16)19)11-8-4-2-1-3-7(8)6-20-11/h1-6H,(H2,15,18)(H3,16,17,19)
InChIKeyQBGYBTQAQUYNSR-UHFFFAOYSA-N
XLogP2.75
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide?
The IUPAC name of 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide (CID 69354631) is 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide is NC(=O)Nc1sc(-c2occ3ccccc23)cc1C(N)=O.
What is the InChIKey of 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide?
The InChIKey is QBGYBTQAQUYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-12(18)9-5-10(21-13(9)17-14(16)19)11-8-4-2-1-3-7(8)6-20-11/h1-6H,(H2,15,18)(H3,16,17,19).
What are the key properties of 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide?
5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzofuran-1-yl)-2-(carbamoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 69354631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).