N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H18N2O3S — CID 2909432

IUPACN-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-3-1-9-22-14)12-5-7-13(8-6-12)19-17(21)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)(H,19,21)
InChIKeyHYGCEMOQXAQYGA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2909432) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2909432
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-3-1-9-22-14)12-5-7-13(8-6-12)19-17(21)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)(H,19,21)
InChIKeyHYGCEMOQXAQYGA-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-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 2909432) is N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCC1CCCO1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HYGCEMOQXAQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(18-11-14-3-1-9-22-14)12-5-7-13(8-6-12)19-17(21)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(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-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2909432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).