4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide

C16H25NO2S — CID 111970476

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
SMILESCc1cc(CCCC(=O)NCC2CCCC2O)c(C)s1
InChIInChI=1S/C16H25NO2S/c1-11-9-13(12(2)20-11)5-4-8-16(19)17-10-14-6-3-7-15(14)18/h9,14-15,18H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyJKZIDWAAEAOVLN-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.96
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide

4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide (PubChem CID 111970476) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
PubChem CID111970476
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
SMILESCc1cc(CCCC(=O)NCC2CCCC2O)c(C)s1
InChIInChI=1S/C16H25NO2S/c1-11-9-13(12(2)20-11)5-4-8-16(19)17-10-14-6-3-7-15(14)18/h9,14-15,18H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyJKZIDWAAEAOVLN-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71782116
3-(5-chlorothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 72121052
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-(5-methylthiophen-2-yl)propanamide
CID 137995413
(5R)-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methyl-N'-(2-thiophen-2-ylethyl)hexanediamide
CID 21345602
N-(2-cyclohexyl-2-hydroxyethyl)-2-(thiophen-2-yl)acetamide
CID 71782112
N-(3-cyclopropyl-3-hydroxypropyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71787472
2-Cyclopentyl-N-[3-hydroxy-3-(thiophen-2-YL)propyl]acetamide
CID 71787790
N-(3-ethyl-2-hydroxypentyl)-4-thiophen-2-ylbutanamide
CID 60297590
N-(2-hydroxy-4,4-dimethylpentyl)-4-thiophen-2-ylbutanamide
CID 60322343
N-(2-cyclopentyl-2-hydroxyethyl)-4-thiophen-2-ylbutanamide
CID 60323753
N-(1-hydroxy-4-methylpentan-2-yl)-4-thiophen-2-ylbutanamide
CID 61247052
N-[(1-hydroxycyclopentyl)methyl]-4-thiophen-2-ylbutanamide
CID 64196515

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide (CID 111970476) is 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide is Cc1cc(CCCC(=O)NCC2CCCC2O)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The InChIKey is JKZIDWAAEAOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-9-13(12(2)20-11)5-4-8-16(19)17-10-14-6-3-7-15(14)18/h9,14-15,18H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide has a molecular weight of 295.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide is sourced from PubChem (CID 111970476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).