2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

C14H15BrN2O2S — CID 79533347

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1cc(Br)ccc1N)c1ccco1
InChIInChI=1S/C14H15BrN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyZKASHPILUYNVQP-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 79533347) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID79533347
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1cc(Br)ccc1N)c1ccco1
InChIInChI=1S/C14H15BrN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyZKASHPILUYNVQP-UHFFFAOYSA-N
XLogP3.59
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 79519416
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (CID 79533347) is 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CSc1cc(Br)ccc1N)c1ccco1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is ZKASHPILUYNVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 355.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 79533347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).