5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

C15H17BrN2O2S2 — CID 37099503

IUPAC5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S2/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18/h1-4,9,11H,5-8,10H2,(H,17,19)/t11-/m1/s1
InChIKeyXINDQEXYRWVGOL-LLVKDONJSA-N
MW401.35 g/mol
LogP3.38
Rot. Bonds5

About 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (PubChem CID 37099503) has the molecular formula C15H17BrN2O2S2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
PubChem CID37099503
Molecular FormulaC15H17BrN2O2S2
Molecular Weight401.35 g/mol
Exact Mass399.99
IUPAC Name5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S2/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18/h1-4,9,11H,5-8,10H2,(H,17,19)/t11-/m1/s1
InChIKeyXINDQEXYRWVGOL-LLVKDONJSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
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CID 39588961
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283795
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (CID 37099503) is 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is XINDQEXYRWVGOL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O2S2/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18/h1-4,9,11H,5-8,10H2,(H,17,19)/t11-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 37099503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).