5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide

C16H15BrN2O2S — CID 2156445

IUPAC5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2O2S/c1-10-15(11-4-2-3-5-12(11)19-10)22-9-8-18-16(20)13-6-7-14(17)21-13/h2-7,19H,8-9H2,1H3,(H,18,20)
InChIKeyPIPHKYPWUVGDBU-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.35
Rot. Bonds5

About 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide

5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide (PubChem CID 2156445) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide
PubChem CID2156445
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2O2S/c1-10-15(11-4-2-3-5-12(11)19-10)22-9-8-18-16(20)13-6-7-14(17)21-13/h2-7,19H,8-9H2,1H3,(H,18,20)
InChIKeyPIPHKYPWUVGDBU-UHFFFAOYSA-N
XLogP4.35
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide (CID 2156445) is 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide is Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide?
The InChIKey is PIPHKYPWUVGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-10-15(11-4-2-3-5-12(11)19-10)22-9-8-18-16(20)13-6-7-14(17)21-13/h2-7,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2156445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).