1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one

C20H22N2O2S — CID 20934822

IUPAC1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C20H22N2O2S/c1-14(23)22-18-11-5-4-10-17(18)19(24)20(22)21(15-7-2-3-8-15)13-16-9-6-12-25-16/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3
InChIKeyDJHZCWOKAYXWDF-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.07
Rot. Bonds4

About 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one

1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one (PubChem CID 20934822) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one
PubChem CID20934822
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C20H22N2O2S/c1-14(23)22-18-11-5-4-10-17(18)19(24)20(22)21(15-7-2-3-8-15)13-16-9-6-12-25-16/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3
InChIKeyDJHZCWOKAYXWDF-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one?
The IUPAC name of 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one (CID 20934822) is 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one?
The canonical SMILES for 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one is CC(=O)N1c2ccccc2C(=O)C1N(Cc1cccs1)C1CCCC1.
What is the InChIKey of 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one?
The InChIKey is DJHZCWOKAYXWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(23)22-18-11-5-4-10-17(18)19(24)20(22)21(15-7-2-3-8-15)13-16-9-6-12-25-16/h4-6,9-12,15,20H,2-3,7-8,13H2,1H3.
What are the key properties of 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one?
1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one has a molecular weight of 354.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-[cyclopentyl(thiophen-2-ylmethyl)amino]-2H-indol-3-one is sourced from PubChem (CID 20934822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).