2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide

C11H14Br2N2O2S — CID 107963714

IUPAC2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CNCCO1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br2N2O2S/c1-15(6-7-5-14-2-3-17-7)11(16)8-4-9(12)18-10(8)13/h4,7,14H,2-3,5-6H2,1H3
InChIKeyJWLCSRRYPHDHPV-UHFFFAOYSA-N
MW398.12 g/mol
LogP2.33
Rot. Bonds3

About 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide

2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 107963714) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
PubChem CID107963714
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC Name2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CNCCO1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br2N2O2S/c1-15(6-7-5-14-2-3-17-7)11(16)8-4-9(12)18-10(8)13/h4,7,14H,2-3,5-6H2,1H3
InChIKeyJWLCSRRYPHDHPV-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
5-fluoro-N-methyl-N-(morpholin-2-ylmethyl)pyridine-3-carboxamide
CID 104786261
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
CID 107654250
1-cyclobutyl-N-methyl-N-(morpholin-2-ylmethyl)pyrrole-2-carboxamide
CID 114610561
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
CID 83136380
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide (CID 107963714) is 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide is CN(CC1CNCCO1)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is JWLCSRRYPHDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c1-15(6-7-5-14-2-3-17-7)11(16)8-4-9(12)18-10(8)13/h4,7,14H,2-3,5-6H2,1H3.
What are the key properties of 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide?
2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 398.12 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107963714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).