5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

C18H22BrN3O2S — CID 56536352

IUPAC5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C18H22BrN3O2S/c19-17-12-16(14-25-17)18(23)22(13-15-2-4-20-5-3-15)7-1-6-21-8-10-24-11-9-21/h2-5,12,14H,1,6-11,13H2
InChIKeyRSVOKTDAJOQQIK-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.27
Rot. Bonds7

About 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide

5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 56536352) has the molecular formula C18H22BrN3O2S and a molecular weight of 424.36 g/mol. Its IUPAC name is 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID56536352
Molecular FormulaC18H22BrN3O2S
Molecular Weight424.36 g/mol
Exact Mass423.06
IUPAC Name5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C18H22BrN3O2S/c19-17-12-16(14-25-17)18(23)22(13-15-2-4-20-5-3-15)7-1-6-21-8-10-24-11-9-21/h2-5,12,14H,1,6-11,13H2
InChIKeyRSVOKTDAJOQQIK-UHFFFAOYSA-N
XLogP3.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56536813
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 55436315
5-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 56564376

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (CID 56536352) is 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is O=C(c1csc(Br)c1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is RSVOKTDAJOQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2S/c19-17-12-16(14-25-17)18(23)22(13-15-2-4-20-5-3-15)7-1-6-21-8-10-24-11-9-21/h2-5,12,14H,1,6-11,13H2.
What are the key properties of 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 424.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 56536352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).