4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide

C19H18BrN3O2S — CID 166365290

IUPAC4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide
SMILESNCC(CC(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C19H18BrN3O2S/c20-18-6-5-17(26-18)13(12-21)11-19(24)23-14-1-3-15(4-2-14)25-16-7-9-22-10-8-16/h1-10,13H,11-12,21H2,(H,23,24)
InChIKeyVBFAVLXKBUBONS-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.77
Rot. Bonds7

About 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide

4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide (PubChem CID 166365290) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide
PubChem CID166365290
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide
SMILESNCC(CC(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C19H18BrN3O2S/c20-18-6-5-17(26-18)13(12-21)11-19(24)23-14-1-3-15(4-2-14)25-16-7-9-22-10-8-16/h1-10,13H,11-12,21H2,(H,23,24)
InChIKeyVBFAVLXKBUBONS-UHFFFAOYSA-N
XLogP4.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
CID 166329289
4-amino-3-(5-bromothiophen-2-yl)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]butanamide
CID 166365423
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166427655
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide?
The IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide (CID 166365290) is 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide.
What is the SMILES notation for 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide?
The canonical SMILES for 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide is NCC(CC(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccc(Br)s1.
What is the InChIKey of 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide?
The InChIKey is VBFAVLXKBUBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c20-18-6-5-17(26-18)13(12-21)11-19(24)23-14-1-3-15(4-2-14)25-16-7-9-22-10-8-16/h1-10,13H,11-12,21H2,(H,23,24).
What are the key properties of 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide?
4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide has a molecular weight of 432.34 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide is sourced from PubChem (CID 166365290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).