5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide

C17H20N2O2S — CID 99775768

IUPAC5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNC[C@H]2CCO[C@H]2c2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c18-17(20)15-7-6-14(22-15)11-19-10-13-8-9-21-16(13)12-4-2-1-3-5-12/h1-7,13,16,19H,8-11H2,(H2,18,20)/t13-,16+/m1/s1
InChIKeyOGQAMSNSPTXZSR-CJNGLKHVSA-N
MW316.43 g/mol
LogP2.71
Rot. Bonds6

About 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide

5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide (PubChem CID 99775768) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide
PubChem CID99775768
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNC[C@H]2CCO[C@H]2c2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c18-17(20)15-7-6-14(22-15)11-19-10-13-8-9-21-16(13)12-4-2-1-3-5-12/h1-7,13,16,19H,8-11H2,(H2,18,20)/t13-,16+/m1/s1
InChIKeyOGQAMSNSPTXZSR-CJNGLKHVSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide (CID 99775768) is 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide is NC(=O)c1ccc(CNC[C@H]2CCO[C@H]2c2ccccc2)s1.
What is the InChIKey of 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide?
The InChIKey is OGQAMSNSPTXZSR-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H20N2O2S/c18-17(20)15-7-6-14(22-15)11-19-10-13-8-9-21-16(13)12-4-2-1-3-5-12/h1-7,13,16,19H,8-11H2,(H2,18,20)/t13-,16+/m1/s1.
What are the key properties of 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide?
5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R,3R)-2-phenyloxolan-3-yl]methylamino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 99775768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).