1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea

C20H23N3OS — CID 71843890

IUPAC1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea
SMILESCn1c(-c2cccs2)c(CNC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C20H23N3OS/c1-23-17-10-5-4-9-15(17)16(19(23)18-11-6-12-25-18)13-21-20(24)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H2,21,22,24)
InChIKeyVLFFPIGLVALXOL-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.65
Rot. Bonds4

About 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea

1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea (PubChem CID 71843890) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea
PubChem CID71843890
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea
SMILESCn1c(-c2cccs2)c(CNC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C20H23N3OS/c1-23-17-10-5-4-9-15(17)16(19(23)18-11-6-12-25-18)13-21-20(24)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H2,21,22,24)
InChIKeyVLFFPIGLVALXOL-UHFFFAOYSA-N
XLogP4.65
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea (CID 71843890) is 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea is Cn1c(-c2cccs2)c(CNC(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea?
The InChIKey is VLFFPIGLVALXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-23-17-10-5-4-9-15(17)16(19(23)18-11-6-12-25-18)13-21-20(24)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea?
1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea has a molecular weight of 353.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea is sourced from PubChem (CID 71843890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).