4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide

C11H13BrN2O3S — CID 146086530

IUPAC4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cscc1Br
InChIInChI=1S/C11H13BrN2O3S/c12-9-7-18-6-8(9)11(16)13-5-10(15)14-1-3-17-4-2-14/h6-7H,1-5H2,(H,13,16)
InChIKeyIICDJKZKXXWNLN-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.10
Rot. Bonds3

About 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide

4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide (PubChem CID 146086530) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide
PubChem CID146086530
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cscc1Br
InChIInChI=1S/C11H13BrN2O3S/c12-9-7-18-6-8(9)11(16)13-5-10(15)14-1-3-17-4-2-14/h6-7H,1-5H2,(H,13,16)
InChIKeyIICDJKZKXXWNLN-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
CID 146012637
3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 166178525
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
1-(4-bromothiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79595295
N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
CID 84596800
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
2-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 75445681
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide (CID 146086530) is 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide is O=C(NCC(=O)N1CCOCC1)c1cscc1Br.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide?
The InChIKey is IICDJKZKXXWNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-9-7-18-6-8(9)11(16)13-5-10(15)14-1-3-17-4-2-14/h6-7H,1-5H2,(H,13,16).
What are the key properties of 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide?
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide has a molecular weight of 333.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide is sourced from PubChem (CID 146086530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).