N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide

C24H25N3O2S — CID 164614217

IUPACN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C24H25N3O2S/c1-17(28)26-14-13-25-16-19-10-11-23(30-19)24(29)27-15-12-21-20(8-5-9-22(21)27)18-6-3-2-4-7-18/h2-11,25H,12-16H2,1H3,(H,26,28)
InChIKeyXACFDXUMXKJFBZ-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.84
Rot. Bonds7

About N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide

N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide (PubChem CID 164614217) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide
PubChem CID164614217
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C24H25N3O2S/c1-17(28)26-14-13-25-16-19-10-11-23(30-19)24(29)27-15-12-21-20(8-5-9-22(21)27)18-6-3-2-4-7-18/h2-11,25H,12-16H2,1H3,(H,26,28)
InChIKeyXACFDXUMXKJFBZ-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide (CID 164614217) is N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1.
What is the InChIKey of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide?
The InChIKey is XACFDXUMXKJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17(28)26-14-13-25-16-19-10-11-23(30-19)24(29)27-15-12-21-20(8-5-9-22(21)27)18-6-3-2-4-7-18/h2-11,25H,12-16H2,1H3,(H,26,28).
What are the key properties of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide?
N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)thiophen-2-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 164614217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).