N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H23NO3S — CID 99872633

IUPACN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESC[C@@](O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccco1
InChIInChI=1S/C18H23NO3S/c1-17(21,12-14-6-4-10-22-14)13-19-16(20)18(8-2-3-9-18)15-7-5-11-23-15/h4-7,10-11,21H,2-3,8-9,12-13H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyWSEIBFNEKIXJLU-KRWDZBQOSA-N
MW333.45 g/mol
LogP3.26
Rot. Bonds6

About N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 99872633) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID99872633
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESC[C@@](O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccco1
InChIInChI=1S/C18H23NO3S/c1-17(21,12-14-6-4-10-22-14)13-19-16(20)18(8-2-3-9-18)15-7-5-11-23-15/h4-7,10-11,21H,2-3,8-9,12-13H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyWSEIBFNEKIXJLU-KRWDZBQOSA-N
XLogP3.26
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 126850489
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523066
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
CID 90605098
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
N-[3-(furan-2-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523795
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 99872633) is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is C[C@@](O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccco1.
What is the InChIKey of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is WSEIBFNEKIXJLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-17(21,12-14-6-4-10-22-14)13-19-16(20)18(8-2-3-9-18)15-7-5-11-23-15/h4-7,10-11,21H,2-3,8-9,12-13H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 99872633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).