4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide

C14H14BrNO2S — CID 107025104

IUPAC4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C14H14BrNO2S/c1-9(7-11-3-2-6-18-11)16-14(17)12-5-4-10(15)8-13(12)19/h2-6,8-9,19H,7H2,1H3,(H,16,17)
InChIKeyXAMSTYNYXUTWCX-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.69
Rot. Bonds4

About 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide

4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide (PubChem CID 107025104) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
PubChem CID107025104
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Br)cc1S
InChIInChI=1S/C14H14BrNO2S/c1-9(7-11-3-2-6-18-11)16-14(17)12-5-4-10(15)8-13(12)19/h2-6,8-9,19H,7H2,1H3,(H,16,17)
InChIKeyXAMSTYNYXUTWCX-UHFFFAOYSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
4-bromo-N-[1-(diethylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107027574
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
CID 55629678
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide (CID 107025104) is 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide is CC(Cc1ccco1)NC(=O)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide?
The InChIKey is XAMSTYNYXUTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(7-11-3-2-6-18-11)16-14(17)12-5-4-10(15)8-13(12)19/h2-6,8-9,19H,7H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide?
4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide has a molecular weight of 340.24 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 107025104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).