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

C17H18BrClN2O2S — CID 39588961

IUPAC5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C17H18BrClN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-3-1-2-4-13(12)19/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1
InChIKeyAAVQZEYUPGZWKN-AWEZNQCLSA-N
MW429.77 g/mol
LogP3.97
Rot. Bonds5

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

5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 39588961) has the molecular formula C17H18BrClN2O2S and a molecular weight of 429.77 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID39588961
Molecular FormulaC17H18BrClN2O2S
Molecular Weight429.77 g/mol
Exact Mass428.00
IUPAC Name5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C17H18BrClN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-3-1-2-4-13(12)19/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1
InChIKeyAAVQZEYUPGZWKN-AWEZNQCLSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
CID 112820227
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 43064529
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60509719
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 39588961) is 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is AAVQZEYUPGZWKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18BrClN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-3-1-2-4-13(12)19/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 429.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 39588961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).