N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

C17H18N2O3S — CID 42889236

IUPACN-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-6-3-9-23-14)12-4-1-5-13(10-12)19-17(21)15-7-2-8-22-15/h1,3-6,9-10,15H,2,7-8,11H2,(H,18,20)(H,19,21)
InChIKeyRXUNTHSGQICWCM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 42889236) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID42889236
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C17H18N2O3S/c20-16(18-11-14-6-3-9-23-14)12-4-1-5-13(10-12)19-17(21)15-7-2-8-22-15/h1,3-6,9-10,15H,2,7-8,11H2,(H,18,20)(H,19,21)
InChIKeyRXUNTHSGQICWCM-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111259068
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111259071
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 42889236) is N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(NCc1cccs1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is RXUNTHSGQICWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(18-11-14-6-3-9-23-14)12-4-1-5-13(10-12)19-17(21)15-7-2-8-22-15/h1,3-6,9-10,15H,2,7-8,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42889236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).