N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C19H17BrN2O4S — CID 55616404

IUPACN-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H17BrN2O4S/c1-22(11-15-7-8-17(20)27-15)18(23)12-26-14-5-2-4-13(10-14)21-19(24)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyMBZVPERLYNKOGS-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.39
Rot. Bonds7

About N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55616404) has the molecular formula C19H17BrN2O4S and a molecular weight of 449.33 g/mol. Its IUPAC name is N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55616404
Molecular FormulaC19H17BrN2O4S
Molecular Weight449.33 g/mol
Exact Mass448.01
IUPAC NameN-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H17BrN2O4S/c1-22(11-15-7-8-17(20)27-15)18(23)12-26-14-5-2-4-13(10-14)21-19(24)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyMBZVPERLYNKOGS-UHFFFAOYSA-N
XLogP4.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
N-[3-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119655116
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
CID 119206961
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[2-(ethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86821930
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55616404) is N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CN(Cc1ccc(Br)s1)C(=O)COc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is MBZVPERLYNKOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S/c1-22(11-15-7-8-17(20)27-15)18(23)12-26-14-5-2-4-13(10-14)21-19(24)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 449.33 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55616404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).