4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide

C19H22N2O3S — CID 16725905

IUPAC4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23)
InChIKeyLMKXIVHWGZZOBT-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.01
Rot. Bonds8

About 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide

4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide (PubChem CID 16725905) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
PubChem CID16725905
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23)
InChIKeyLMKXIVHWGZZOBT-UHFFFAOYSA-N
XLogP3.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Isofetamid
CID 71657865
{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
CID 44129624
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
4-ethoxy-N-(2-thienylmethyl)benzamide
CID 897479
4-butoxy-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 4920966
[2-[Methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 2473672
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-phenyl-acetamide
CID 3202885
2-[Furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-N-(4-methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 3210888
N-cyclopentyl-1-[(2-furylmethyl)(thien-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3236839

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The IUPAC name of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide (CID 16725905) is 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide.
What is the SMILES notation for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The canonical SMILES for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide is NC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1.
What is the InChIKey of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The InChIKey is LMKXIVHWGZZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23).
What are the key properties of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide is sourced from PubChem (CID 16725905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).