3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide

C17H27NO3S2 — CID 55778009

IUPAC3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)(C)C(NC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1
InChIInChI=1S/C17H27NO3S2/c1-17(2,3)16(14-9-6-11-22-14)18-15(19)10-12-23(20,21)13-7-4-5-8-13/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,18,19)
InChIKeyNQJKAXUEIGQWMG-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.70
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide

3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide (PubChem CID 55778009) has the molecular formula C17H27NO3S2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide
PubChem CID55778009
Molecular FormulaC17H27NO3S2
Molecular Weight357.54 g/mol
Exact Mass357.14
IUPAC Name3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)(C)C(NC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1
InChIInChI=1S/C17H27NO3S2/c1-17(2,3)16(14-9-6-11-22-14)18-15(19)10-12-23(20,21)13-7-4-5-8-13/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,18,19)
InChIKeyNQJKAXUEIGQWMG-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921437
(2R)-2-(3-cyclopentylsulfonylpropanoylamino)-3-methylbutanoic acid
CID 119368827
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55661677
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 60507562
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
CID 86997629
1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 87025148
2-(2,5-dimethoxyphenyl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 78887943
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide (CID 55778009) is 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide is CC(C)(C)C(NC(=O)CCS(=O)(=O)C1CCCC1)c1cccs1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide?
The InChIKey is NQJKAXUEIGQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S2/c1-17(2,3)16(14-9-6-11-22-14)18-15(19)10-12-23(20,21)13-7-4-5-8-13/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3,(H,18,19).
What are the key properties of 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide?
3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide has a molecular weight of 357.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 55778009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).