2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide

C14H15BrN2OS2 — CID 102833084

IUPAC2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
SMILESCc1sc(CNc2ccccc2SCC(N)=O)cc1Br
InChIInChI=1S/C14H15BrN2OS2/c1-9-11(15)6-10(20-9)7-17-12-4-2-3-5-13(12)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18)
InChIKeyKKHMWAHBSVSXCA-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.01
Rot. Bonds6

About 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide

2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide (PubChem CID 102833084) has the molecular formula C14H15BrN2OS2 and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
PubChem CID102833084
Molecular FormulaC14H15BrN2OS2
Molecular Weight371.33 g/mol
Exact Mass369.98
IUPAC Name2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
SMILESCc1sc(CNc2ccccc2SCC(N)=O)cc1Br
InChIInChI=1S/C14H15BrN2OS2/c1-9-11(15)6-10(20-9)7-17-12-4-2-3-5-13(12)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18)
InChIKeyKKHMWAHBSVSXCA-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
methyl 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]benzoate
CID 102831498
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
CID 102835062
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 62747638
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
ethyl 3-bromo-4-[(4-bromo-5-methylthiophen-2-yl)methylamino]benzoate
CID 102832187
2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide (CID 102833084) is 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide is Cc1sc(CNc2ccccc2SCC(N)=O)cc1Br.
What is the InChIKey of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is KKHMWAHBSVSXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS2/c1-9-11(15)6-10(20-9)7-17-12-4-2-3-5-13(12)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18).
What are the key properties of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 371.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 102833084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).