2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide

C15H15BrN2OS — CID 43231954

IUPAC2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2OS/c16-12-5-3-4-11(8-12)9-18-13-6-1-2-7-14(13)20-10-15(17)19/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyBRQLSEUMZVZSDD-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 43231954) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID43231954
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2OS/c16-12-5-3-4-11(8-12)9-18-13-6-1-2-7-14(13)20-10-15(17)19/h1-8,18H,9-10H2,(H2,17,19)
InChIKeyBRQLSEUMZVZSDD-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
N-[(3-bromophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 63449356
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588
1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
CID 102579783
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-(propylamino)phenyl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide (CID 43231954) is 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1cccc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is BRQLSEUMZVZSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-12-5-3-4-11(8-12)9-18-13-6-1-2-7-14(13)20-10-15(17)19/h1-8,18H,9-10H2,(H2,17,19).
What are the key properties of 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 351.27 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43231954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).