N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H18N2O3S — CID 2925804

IUPACN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-6-2-8-22-14)12-4-1-5-13(10-12)19-17(21)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)(H,19,21)
InChIKeyRRSSJLJDXUEZIB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2925804) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2925804
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-6-2-8-22-14)12-4-1-5-13(10-12)19-17(21)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)(H,19,21)
InChIKeyRRSSJLJDXUEZIB-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 2925804) is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCC1CCCO1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RRSSJLJDXUEZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(18-11-14-6-2-8-22-14)12-4-1-5-13(10-12)19-17(21)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2925804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).