N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide

C16H24N2O3S — CID 109477004

IUPACN'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
SMILESCC(O)(CNC(=O)CCC(=O)NC1CCCC1)c1ccsc1
InChIInChI=1S/C16H24N2O3S/c1-16(21,12-8-9-22-10-12)11-17-14(19)6-7-15(20)18-13-4-2-3-5-13/h8-10,13,21H,2-7,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIEYKULKUEIBGGX-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.91
Rot. Bonds7

About N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide

N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide (PubChem CID 109477004) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
PubChem CID109477004
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
SMILESCC(O)(CNC(=O)CCC(=O)NC1CCCC1)c1ccsc1
InChIInChI=1S/C16H24N2O3S/c1-16(21,12-8-9-22-10-12)11-17-14(19)6-7-15(20)18-13-4-2-3-5-13/h8-10,13,21H,2-7,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIEYKULKUEIBGGX-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
CID 111654054
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
CID 111451808
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide?
The IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide (CID 109477004) is N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide?
The canonical SMILES for N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide is CC(O)(CNC(=O)CCC(=O)NC1CCCC1)c1ccsc1.
What is the InChIKey of N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide?
The InChIKey is IEYKULKUEIBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(21,12-8-9-22-10-12)11-17-14(19)6-7-15(20)18-13-4-2-3-5-13/h8-10,13,21H,2-7,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide?
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide has a molecular weight of 324.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide is sourced from PubChem (CID 109477004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).