2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide

C15H15BrN2O2S — CID 63047090

IUPAC2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c16-11-7-10(5-6-13(11)19)8-18-12-3-1-2-4-14(12)21-9-15(17)20/h1-7,18-19H,8-9H2,(H2,17,20)
InChIKeyNULBZXZKTRTUKT-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.34
Rot. Bonds6

About 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 63047090) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID63047090
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c16-11-7-10(5-6-13(11)19)8-18-12-3-1-2-4-14(12)21-9-15(17)20/h1-7,18-19H,8-9H2,(H2,17,20)
InChIKeyNULBZXZKTRTUKT-UHFFFAOYSA-N
XLogP3.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
ethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63045017
2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide (CID 63047090) is 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is NULBZXZKTRTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-11-7-10(5-6-13(11)19)8-18-12-3-1-2-4-14(12)21-9-15(17)20/h1-7,18-19H,8-9H2,(H2,17,20).
What are the key properties of 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 367.27 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 63047090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).