N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide

C18H20N2O3S — CID 111490932

IUPACN-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C18H20N2O3S/c21-15-7-2-5-13(15)11-19-17(22)18(23)20-14-6-1-4-12(10-14)16-8-3-9-24-16/h1,3-4,6,8-10,13,15,21H,2,5,7,11H2,(H,19,22)(H,20,23)
InChIKeyDFWGFJRFOOXRJC-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide

N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide (PubChem CID 111490932) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
PubChem CID111490932
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C18H20N2O3S/c21-15-7-2-5-13(15)11-19-17(22)18(23)20-14-6-1-4-12(10-14)16-8-3-9-24-16/h1,3-4,6,8-10,13,15,21H,2,5,7,11H2,(H,19,22)(H,20,23)
InChIKeyDFWGFJRFOOXRJC-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-thiophen-2-ylphenyl)oxamide
CID 151856111
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
4-[(3-thiophen-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078651
3-amino-N-(3-thiophen-2-ylphenyl)cyclopentane-1-carboxamide
CID 119708564
(3-thiophen-2-ylanilino)methanol
CID 143026650
1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71992244
2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
CID 119708574
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-thiophen-2-ylphenyl)urea
CID 95303669
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide (CID 111490932) is N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide is O=C(NCC1CCCC1O)C(=O)Nc1cccc(-c2cccs2)c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide?
The InChIKey is DFWGFJRFOOXRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-15-7-2-5-13(15)11-19-17(22)18(23)20-14-6-1-4-12(10-14)16-8-3-9-24-16/h1,3-4,6,8-10,13,15,21H,2,5,7,11H2,(H,19,22)(H,20,23).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide?
N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide has a molecular weight of 344.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide is sourced from PubChem (CID 111490932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).