(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide

C17H21BrN2O3S — CID 99783386

IUPAC(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)o1)c1ccc(Br)s1
InChIInChI=1S/C17H21BrN2O3S/c1-12(15-4-5-16(18)24-15)17(21)19-10-13-2-3-14(23-13)11-20-6-8-22-9-7-20/h2-5,12H,6-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyPAMJMWMUEBNZEN-GFCCVEGCSA-N
MW413.34 g/mol
LogP3.36
Rot. Bonds6

About (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide

(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide (PubChem CID 99783386) has the molecular formula C17H21BrN2O3S and a molecular weight of 413.34 g/mol. Its IUPAC name is (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide
PubChem CID99783386
Molecular FormulaC17H21BrN2O3S
Molecular Weight413.34 g/mol
Exact Mass412.05
IUPAC Name(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)o1)c1ccc(Br)s1
InChIInChI=1S/C17H21BrN2O3S/c1-12(15-4-5-16(18)24-15)17(21)19-10-13-2-3-14(23-13)11-20-6-8-22-9-7-20/h2-5,12H,6-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyPAMJMWMUEBNZEN-GFCCVEGCSA-N
XLogP3.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 71870124
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091
CID 162740801
CID 162740801
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
2-[[(2R)-2-(5-bromothiophen-2-yl)propanoyl]-(oxan-4-yl)amino]acetic acid
CID 124689570

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide (CID 99783386) is (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide is C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)o1)c1ccc(Br)s1.
What is the InChIKey of (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide?
The InChIKey is PAMJMWMUEBNZEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21BrN2O3S/c1-12(15-4-5-16(18)24-15)17(21)19-10-13-2-3-14(23-13)11-20-6-8-22-9-7-20/h2-5,12H,6-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide?
(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide has a molecular weight of 413.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 99783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).