N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide

C13H11Br3N2OS — CID 66386124

IUPACN-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19)
InChIKeyFCCNXMNTCGDZHB-UHFFFAOYSA-N
MW483.02 g/mol
LogP5.61
Rot. Bonds4

About N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66386124) has the molecular formula C13H11Br3N2OS and a molecular weight of 483.02 g/mol. Its IUPAC name is N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66386124
Molecular FormulaC13H11Br3N2OS
Molecular Weight483.02 g/mol
Exact Mass479.81
IUPAC NameN-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H11Br3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19)
InChIKeyFCCNXMNTCGDZHB-UHFFFAOYSA-N
XLogP5.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.02
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
2-[(2,4,6-tribromoanilino)methyl]thiophen-3-amine
CID 66385925
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide (CID 66386124) is N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is FCCNXMNTCGDZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2OS/c1-7(19)18-11-2-3-20-12(11)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17H,6H2,1H3,(H,18,19).
What are the key properties of N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 483.02 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).