2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide

C16H13N3O2S — CID 67119830

IUPAC2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cccc3ccccc23)cc1C(N)=O
InChIInChI=1S/C16H13N3O2S/c17-14(20)12-8-13(22-15(12)19-16(18)21)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,17,20)(H3,18,19,21)
InChIKeyQLBZHMUXKACADS-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.16
Rot. Bonds3

About 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide

2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide (PubChem CID 67119830) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
PubChem CID67119830
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cccc3ccccc23)cc1C(N)=O
InChIInChI=1S/C16H13N3O2S/c17-14(20)12-8-13(22-15(12)19-16(18)21)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,17,20)(H3,18,19,21)
InChIKeyQLBZHMUXKACADS-UHFFFAOYSA-N
XLogP3.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide (CID 67119830) is 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2cccc3ccccc23)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide?
The InChIKey is QLBZHMUXKACADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-14(20)12-8-13(22-15(12)19-16(18)21)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,17,20)(H3,18,19,21).
What are the key properties of 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide?
2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 67119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).