N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

C14H21BrN2O3S — CID 79834457

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C14H21BrN2O3S/c1-2-17(8-12-3-4-13(15)21-12)14(19)9-16-5-6-20-11(7-16)10-18/h3-4,11,18H,2,5-10H2,1H3
InChIKeyGIBPSQGFZPJLDI-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.55
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (PubChem CID 79834457) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
PubChem CID79834457
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C14H21BrN2O3S/c1-2-17(8-12-3-4-13(15)21-12)14(19)9-16-5-6-20-11(7-16)10-18/h3-4,11,18H,2,5-10H2,1H3
InChIKeyGIBPSQGFZPJLDI-UHFFFAOYSA-N
XLogP1.55
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 62063076
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide
CID 62655122
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79832873
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713834
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114964
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672
N-cyclopropyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79833048
2-(3-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66218074
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682097
5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (CID 79834457) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is CCN(Cc1ccc(Br)s1)C(=O)CN1CCOC(CO)C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The InChIKey is GIBPSQGFZPJLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-2-17(8-12-3-4-13(15)21-12)14(19)9-16-5-6-20-11(7-16)10-18/h3-4,11,18H,2,5-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide has a molecular weight of 377.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 79834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).