(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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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).