4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide

C11H12Br2N2O3S — CID 83099962

IUPAC4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H12Br2N2O3S/c1-14-10(16)7-5-18-3-2-15(7)11(17)8-4-6(12)9(13)19-8/h4,7H,2-3,5H2,1H3,(H,14,16)
InChIKeyKJAFCFUMPGESSU-UHFFFAOYSA-N
MW412.10 g/mol
LogP1.86
Rot. Bonds2

About 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide

4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83099962) has the molecular formula C11H12Br2N2O3S and a molecular weight of 412.10 g/mol. Its IUPAC name is 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83099962
Molecular FormulaC11H12Br2N2O3S
Molecular Weight412.10 g/mol
Exact Mass409.89
IUPAC Name4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H12Br2N2O3S/c1-14-10(16)7-5-18-3-2-15(7)11(17)8-4-6(12)9(13)19-8/h4,7H,2-3,5H2,1H3,(H,14,16)
InChIKeyKJAFCFUMPGESSU-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 120521719
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097443

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide (CID 83099962) is 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KJAFCFUMPGESSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3S/c1-14-10(16)7-5-18-3-2-15(7)11(17)8-4-6(12)9(13)19-8/h4,7H,2-3,5H2,1H3,(H,14,16).
What are the key properties of 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide?
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 412.10 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83099962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).