N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C22H23NO2S2 — CID 99882791

IUPACN-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H23NO2S2/c24-20(16-7-2-1-3-8-16)18-11-10-17(27-18)15-23-21(25)22(12-4-5-13-22)19-9-6-14-26-19/h1-3,6-11,14,20,24H,4-5,12-13,15H2,(H,23,25)/t20-/m1/s1
InChIKeyZUFCJITXMMBQLZ-HXUWFJFHSA-N
MW397.57 g/mol
LogP5.02
Rot. Bonds6

About N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 99882791) has the molecular formula C22H23NO2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID99882791
Molecular FormulaC22H23NO2S2
Molecular Weight397.57 g/mol
Exact Mass397.12
IUPAC NameN-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H23NO2S2/c24-20(16-7-2-1-3-8-16)18-11-10-17(27-18)15-23-21(25)22(12-4-5-13-22)19-9-6-14-26-19/h1-3,6-11,14,20,24H,4-5,12-13,15H2,(H,23,25)/t20-/m1/s1
InChIKeyZUFCJITXMMBQLZ-HXUWFJFHSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
2-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167895
N-({5-[(S)-hydroxy(3-thienyl)methyl]-2-thienyl}methyl)p-(trifluoromethyl)benzamide
CID 99882696
N-({5-[(R)-hydroxyphenylmethyl]-2-thienyl}methyl)(p-fluorophenyl)acetamide
CID 99882769
(3S)-N-ethyl-3-hydroxy-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 137639123
(3R)-N-ethyl-3-hydroxy-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 137660680
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-(thiophen-2-yl)cyclopentane-1-carboxamide
CID 71781690
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-2-phenylbutanamide
CID 71782427
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71803824
N-({5-[Hydroxy(thiophen-2-YL)methyl]thiophen-2-YL}methyl)-4-methylthiophene-2-carboxamide
CID 71804629
N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-4-phenylbutanamide
CID 71804636

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 99882791) is N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is ZUFCJITXMMBQLZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23NO2S2/c24-20(16-7-2-1-3-8-16)18-11-10-17(27-18)15-23-21(25)22(12-4-5-13-22)19-9-6-14-26-19/h1-3,6-11,14,20,24H,4-5,12-13,15H2,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 99882791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).