N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

C14H15BrN2OS — CID 86793126

IUPACN-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NCc2sccc2Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-10(18)17(2)12-5-3-4-11(8-12)16-9-14-13(15)6-7-19-14/h3-8,16H,9H2,1-2H3
InChIKeyZXXTWPXDWWIWBZ-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.11
Rot. Bonds4

About N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 86793126) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID86793126
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NCc2sccc2Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-10(18)17(2)12-5-3-4-11(8-12)16-9-14-13(15)6-7-19-14/h3-8,16H,9H2,1-2H3
InChIKeyZXXTWPXDWWIWBZ-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 86805772
N-[(3-bromothiophen-2-yl)methyl]-3-iodoaniline
CID 63487819
N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
CID 75387090
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
tert-butyl N-[[3-[(3-bromothiophen-2-yl)methylamino]phenyl]methyl]carbamate
CID 104756662
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[(3-bromothiophen-2-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 115380193
tert-butyl N-[4-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 104756602
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
1-N-[(3-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380037

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (CID 86793126) is N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(NCc2sccc2Br)c1.
What is the InChIKey of N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is ZXXTWPXDWWIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-10(18)17(2)12-5-3-4-11(8-12)16-9-14-13(15)6-7-19-14/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 339.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86793126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).