2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide

C16H14Br2N2O2S — CID 3567894

IUPAC2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2O2S/c17-11-1-5-13(6-2-11)19-15(21)9-23-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyUWOZDBBZHQLPMD-UHFFFAOYSA-N
MW458.18 g/mol
LogP4.52
Rot. Bonds6

About 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide

2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide (PubChem CID 3567894) has the molecular formula C16H14Br2N2O2S and a molecular weight of 458.18 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
PubChem CID3567894
Molecular FormulaC16H14Br2N2O2S
Molecular Weight458.18 g/mol
Exact Mass455.91
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2O2S/c17-11-1-5-13(6-2-11)19-15(21)9-23-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyUWOZDBBZHQLPMD-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.18
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
methyl 3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 8766355
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(cyanomethylsulfanyl)acetamide
CID 39909047
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313
N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 37034630
N'-(4-bromophenyl)propanediamide
CID 15154636
N-(4-bromophenyl)-2-[(2-prop-2-enylsulfanylacetyl)amino]acetamide
CID 47309436
(2S)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 9484334

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide (CID 3567894) is 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide is O=C(CSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide?
The InChIKey is UWOZDBBZHQLPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2S/c17-11-1-5-13(6-2-11)19-15(21)9-23-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide?
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide has a molecular weight of 458.18 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 3567894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).