4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide

C16H18N2O2S — CID 66241228

IUPAC4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c17-13-10-20-9-12(13)16(19)18-15(14-7-4-8-21-14)11-5-2-1-3-6-11/h1-8,12-13,15H,9-10,17H2,(H,18,19)
InChIKeyMVBWFAVZHZRXDJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide

4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 66241228) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
PubChem CID66241228
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c17-13-10-20-9-12(13)16(19)18-15(14-7-4-8-21-14)11-5-2-1-3-6-11/h1-8,12-13,15H,9-10,17H2,(H,18,19)
InChIKeyMVBWFAVZHZRXDJ-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79209714
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
CID 66237272
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42889430
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide (CID 66241228) is 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide is NC1COCC1C(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is MVBWFAVZHZRXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-13-10-20-9-12(13)16(19)18-15(14-7-4-8-21-14)11-5-2-1-3-6-11/h1-8,12-13,15H,9-10,17H2,(H,18,19).
What are the key properties of 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66241228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).