N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide

C14H15BrN2O2S — CID 43715753

IUPACN-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-9(18)17-10-3-5-13(19-2)12(7-10)16-8-11-4-6-14(15)20-11/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyMERRSZCOKRIAPK-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide

N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide (PubChem CID 43715753) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
PubChem CID43715753
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-9(18)17-10-3-5-13(19-2)12(7-10)16-8-11-4-6-14(15)20-11/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyMERRSZCOKRIAPK-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-5-nitroaniline
CID 43717768
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
2-[5-[(5-bromothiophen-2-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 43751478
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide (CID 43715753) is N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NCc1ccc(Br)s1.
What is the InChIKey of N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide?
The InChIKey is MERRSZCOKRIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9(18)17-10-3-5-13(19-2)12(7-10)16-8-11-4-6-14(15)20-11/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide?
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide has a molecular weight of 355.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 43715753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).