N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide

C19H23NO2S — CID 47031450

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C19H23NO2S/c21-18(12-13-22-16-9-2-1-3-10-16)20-19(15-7-4-5-8-15)17-11-6-14-23-17/h1-3,6,9-11,14-15,19H,4-5,7-8,12-13H2,(H,20,21)
InChIKeyGXPZDTHQARBPIL-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.56
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide

N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide (PubChem CID 47031450) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
PubChem CID47031450
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C19H23NO2S/c21-18(12-13-22-16-9-2-1-3-10-16)20-19(15-7-4-5-8-15)17-11-6-14-23-17/h1-3,6,9-11,14-15,19H,4-5,7-8,12-13H2,(H,20,21)
InChIKeyGXPZDTHQARBPIL-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
N-[cyclopentyl(thiophen-2-yl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 47031446
benzyl N-[4-[[cyclopentyl(thiophen-2-yl)methyl]amino]-4-oxobutyl]carbamate
CID 55837290
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423
1-[(S)-cyclopentyl(thiophen-2-yl)methyl]-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
CID 95575157
(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
CID 95292067
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide
CID 47050579
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide (CID 47031450) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide?
The InChIKey is GXPZDTHQARBPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-18(12-13-22-16-9-2-1-3-10-16)20-19(15-7-4-5-8-15)17-11-6-14-23-17/h1-3,6,9-11,14-15,19H,4-5,7-8,12-13H2,(H,20,21).
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide has a molecular weight of 329.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 47031450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).