N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C18H19BrN2O3S — CID 60586938

IUPACN-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCOC(c2ccc(Br)cc2)C1)C(=O)c1cccs1
InChIInChI=1S/C18H19BrN2O3S/c1-20(18(23)16-3-2-10-25-16)12-17(22)21-8-9-24-15(11-21)13-4-6-14(19)7-5-13/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyOWXUHUKDQVWLQU-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.18
Rot. Bonds4

About N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 60586938) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID60586938
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC NameN-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CCOC(c2ccc(Br)cc2)C1)C(=O)c1cccs1
InChIInChI=1S/C18H19BrN2O3S/c1-20(18(23)16-3-2-10-25-16)12-17(22)21-8-9-24-15(11-21)13-4-6-14(19)7-5-13/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyOWXUHUKDQVWLQU-UHFFFAOYSA-N
XLogP3.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46579199
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119636972
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 60586938) is N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)N1CCOC(c2ccc(Br)cc2)C1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is OWXUHUKDQVWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-20(18(23)16-3-2-10-25-16)12-17(22)21-8-9-24-15(11-21)13-4-6-14(19)7-5-13/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 60586938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).