4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

C21H23NO3S — CID 99873348

IUPAC4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1
InChIInChI=1S/C21H23NO3S/c1-21(2,3)15-8-6-14(7-9-15)20(24)22-13-16-10-11-18(26-16)19(23)17-5-4-12-25-17/h4-12,19,23H,13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyILGBRRWZQFXLCG-LJQANCHMSA-N
MW369.49 g/mol
LogP4.65
Rot. Bonds5

About 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 99873348) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID99873348
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1
InChIInChI=1S/C21H23NO3S/c1-21(2,3)15-8-6-14(7-9-15)20(24)22-13-16-10-11-18(26-16)19(23)17-5-4-12-25-17/h4-12,19,23H,13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyILGBRRWZQFXLCG-LJQANCHMSA-N
XLogP4.65
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873352
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133418
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
CID 121133440
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (CID 99873348) is 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is ILGBRRWZQFXLCG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-21(2,3)15-8-6-14(7-9-15)20(24)22-13-16-10-11-18(26-16)19(23)17-5-4-12-25-17/h4-12,19,23H,13H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 99873348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).