(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide

C19H24N2O2S — CID 97230592

IUPAC(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-2-16(18-9-5-11-24-18)20-13-14-6-3-7-15(12-14)21-19(22)17-8-4-10-23-17/h3,5-7,9,11-12,16-17,20H,2,4,8,10,13H2,1H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyIDPAVSGUUHVFCG-IAGOWNOFSA-N
MW344.48 g/mol
LogP4.11
Rot. Bonds7

About (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 97230592) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID97230592
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-2-16(18-9-5-11-24-18)20-13-14-6-3-7-15(12-14)21-19(22)17-8-4-10-23-17/h3,5-7,9,11-12,16-17,20H,2,4,8,10,13H2,1H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyIDPAVSGUUHVFCG-IAGOWNOFSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111259068
N-[3-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111259071
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide (CID 97230592) is (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide is CC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1.
What is the InChIKey of (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is IDPAVSGUUHVFCG-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-16(18-9-5-11-24-18)20-13-14-6-3-7-15(12-14)21-19(22)17-8-4-10-23-17/h3,5-7,9,11-12,16-17,20H,2,4,8,10,13H2,1H3,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[[(1R)-1-thiophen-2-ylpropyl]amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 97230592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).