2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide

C16H18N2O2S — CID 167495698

IUPAC2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C16H18N2O2S/c17-15-13(16(19)18-9-11-6-7-20-10-11)8-14(21-15)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,17H2,(H,18,19)
InChIKeyJAEAMWXVEJXWBW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide

2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide (PubChem CID 167495698) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
PubChem CID167495698
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C16H18N2O2S/c17-15-13(16(19)18-9-11-6-7-20-10-11)8-14(21-15)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,17H2,(H,18,19)
InChIKeyJAEAMWXVEJXWBW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
CID 3667213
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
4-amino-N-[[(3R)-oxolan-3-yl]methyl]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 95186361
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
CID 134146525
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 61112790
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide (CID 167495698) is 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide is Nc1sc(-c2ccccc2)cc1C(=O)NCC1CCOC1.
What is the InChIKey of 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is JAEAMWXVEJXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15-13(16(19)18-9-11-6-7-20-10-11)8-14(21-15)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10,17H2,(H,18,19).
What are the key properties of 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide?
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 167495698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).