5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

C18H21BrN2O2S — CID 27362650

IUPAC5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H21BrN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyXNNPDPSBHIFEHM-OAHLLOKOSA-N
MW409.35 g/mol
LogP3.62
Rot. Bonds5

About 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 27362650) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID27362650
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC Name5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H21BrN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyXNNPDPSBHIFEHM-OAHLLOKOSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963827
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112818589
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 43033641
5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide
CID 9144528
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 27362650) is 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is XNNPDPSBHIFEHM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21BrN2O2S/c1-13-2-4-14(5-3-13)15(12-21-8-10-23-11-9-21)20-18(22)16-6-7-17(19)24-16/h2-7,15H,8-12H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 409.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 27362650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).