3-(carbamoylamino)-5-phenylthiophene-2-carboxamide

C12H11N3O2S — CID 10220851

IUPAC3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKeyHKWYRLYHYBFHLL-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.00
Rot. Bonds3

About 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide

3-(carbamoylamino)-5-phenylthiophene-2-carboxamide (PubChem CID 10220851) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
PubChem CID10220851
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
SMILESNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKeyHKWYRLYHYBFHLL-UHFFFAOYSA-N
XLogP2.00
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide (CID 10220851) is 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide is NC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O.
What is the InChIKey of 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide?
The InChIKey is HKWYRLYHYBFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17).
What are the key properties of 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide?
3-(carbamoylamino)-5-phenylthiophene-2-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 10220851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).