2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide

C16H16BrClN2O2S — CID 17469304

IUPAC2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCCOc1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O2S/c17-12-9-11(18)5-6-14(12)22-8-7-20-13-3-1-2-4-15(13)23-10-16(19)21/h1-6,9,20H,7-8,10H2,(H2,19,21)
InChIKeyMYXGNRVOHZXUPY-UHFFFAOYSA-N
MW415.74 g/mol
LogP4.17
Rot. Bonds8

About 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide

2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide (PubChem CID 17469304) has the molecular formula C16H16BrClN2O2S and a molecular weight of 415.74 g/mol. Its IUPAC name is 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide
PubChem CID17469304
Molecular FormulaC16H16BrClN2O2S
Molecular Weight415.74 g/mol
Exact Mass413.98
IUPAC Name2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCCOc1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O2S/c17-12-9-11(18)5-6-14(12)22-8-7-20-13-3-1-2-4-15(13)23-10-16(19)21/h1-6,9,20H,7-8,10H2,(H2,19,21)
InChIKeyMYXGNRVOHZXUPY-UHFFFAOYSA-N
XLogP4.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.74
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 51248663
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
methyl 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoate
CID 18802372
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17403822
2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
CID 18802325
2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
CID 9044544
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide (CID 17469304) is 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCCOc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is MYXGNRVOHZXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2S/c17-12-9-11(18)5-6-14(12)22-8-7-20-13-3-1-2-4-15(13)23-10-16(19)21/h1-6,9,20H,7-8,10H2,(H2,19,21).
What are the key properties of 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide?
2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 415.74 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 17469304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).