N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide

C20H19N3O3S — CID 99619776

IUPACN-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESC[C@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14(13-18-3-2-12-27-18)22-19(24)20(25)23-15-4-6-16(7-5-15)26-17-8-10-21-11-9-17/h2-12,14H,13H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyYSTGQOBCPDXPPY-CQSZACIVSA-N
MW381.46 g/mol
LogP3.62
Rot. Bonds6

About N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide

N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (PubChem CID 99619776) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
PubChem CID99619776
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESC[C@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14(13-18-3-2-12-27-18)22-19(24)20(25)23-15-4-6-16(7-5-15)26-17-8-10-21-11-9-17/h2-12,14H,13H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyYSTGQOBCPDXPPY-CQSZACIVSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895048
N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895040
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
(2R)-2-imidazol-1-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92582168
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
5-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641309
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The IUPAC name of N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (CID 99619776) is N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.
What is the SMILES notation for N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The canonical SMILES for N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is C[C@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The InChIKey is YSTGQOBCPDXPPY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14(13-18-3-2-12-27-18)22-19(24)20(25)23-15-4-6-16(7-5-15)26-17-8-10-21-11-9-17/h2-12,14H,13H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide has a molecular weight of 381.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is sourced from PubChem (CID 99619776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).