5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

C18H21BrN2O3S — CID 51878966

IUPAC5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)N2CCOCC2)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-23-14-4-2-13(3-5-14)15(21-8-10-24-11-9-21)12-20-18(22)16-6-7-17(19)25-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyJJXROAOANBEPQZ-OAHLLOKOSA-N
MW425.35 g/mol
LogP3.32
Rot. Bonds6

About 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 51878966) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID51878966
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)N2CCOCC2)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-23-14-4-2-13(3-5-14)15(21-8-10-24-11-9-21)12-20-18(22)16-6-7-17(19)25-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyJJXROAOANBEPQZ-OAHLLOKOSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
(E)-3-(5-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55331312
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 51878966) is 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)N2CCOCC2)cc1.
What is the InChIKey of 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is JJXROAOANBEPQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-23-14-4-2-13(3-5-14)15(21-8-10-24-11-9-21)12-20-18(22)16-6-7-17(19)25-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 425.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51878966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).