N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C17H26N2O3S — CID 111442087

IUPACN-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC(C)(O)c1cccs1)NC(=O)C1CCCC1
InChIInChI=1S/C17H26N2O3S/c1-12(19-16(21)13-6-3-4-7-13)10-15(20)18-11-17(2,22)14-8-5-9-23-14/h5,8-9,12-13,22H,3-4,6-7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRWCSNNSLGXCSSA-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.16
Rot. Bonds7

About N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 111442087) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID111442087
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC(C)(O)c1cccs1)NC(=O)C1CCCC1
InChIInChI=1S/C17H26N2O3S/c1-12(19-16(21)13-6-3-4-7-13)10-15(20)18-11-17(2,22)14-8-5-9-23-14/h5,8-9,12-13,22H,3-4,6-7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRWCSNNSLGXCSSA-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111442226
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 111442087) is N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NCC(C)(O)c1cccs1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is RWCSNNSLGXCSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(19-16(21)13-6-3-4-7-13)10-15(20)18-11-17(2,22)14-8-5-9-23-14/h5,8-9,12-13,22H,3-4,6-7,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 111442087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).