N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide

C19H21ClN2OS — CID 11210623

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C19H21ClN2OS/c20-18-8-6-16(24-18)12-22-10-9-14-11-15(5-7-17(14)22)21-19(23)13-3-1-2-4-13/h5-8,11,13H,1-4,9-10,12H2,(H,21,23)
InChIKeyAUOZRASIFYBPPM-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.09
Rot. Bonds4

About N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide

N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide (PubChem CID 11210623) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide
PubChem CID11210623
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C19H21ClN2OS/c20-18-8-6-16(24-18)12-22-10-9-14-11-15(5-7-17(14)22)21-19(23)13-3-1-2-4-13/h5-8,11,13H,1-4,9-10,12H2,(H,21,23)
InChIKeyAUOZRASIFYBPPM-UHFFFAOYSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide (CID 11210623) is N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide is O=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)C1CCCC1.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide?
The InChIKey is AUOZRASIFYBPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-18-8-6-16(24-18)12-22-10-9-14-11-15(5-7-17(14)22)21-19(23)13-3-1-2-4-13/h5-8,11,13H,1-4,9-10,12H2,(H,21,23).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide?
N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide has a molecular weight of 360.91 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 11210623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).