1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one

C17H20N2OS — CID 43496797

IUPAC1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2C)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-3-8-18-17(15-5-4-9-21-15)12-6-7-14-13(10-12)11-16(20)19(14)2/h4-7,9-10,17-18H,3,8,11H2,1-2H3
InChIKeyOVLMQRWZDKKXFS-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.36
Rot. Bonds5

About 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one

1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one (PubChem CID 43496797) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
PubChem CID43496797
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2C)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-3-8-18-17(15-5-4-9-21-15)12-6-7-14-13(10-12)11-16(20)19(14)2/h4-7,9-10,17-18H,3,8,11H2,1-2H3
InChIKeyOVLMQRWZDKKXFS-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
5-[ethylamino-(5-iodothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79691115
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79809471
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82290693
5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one (CID 43496797) is 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one is CCCNC(c1ccc2c(c1)CC(=O)N2C)c1cccs1.
What is the InChIKey of 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one?
The InChIKey is OVLMQRWZDKKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-8-18-17(15-5-4-9-21-15)12-6-7-14-13(10-12)11-16(20)19(14)2/h4-7,9-10,17-18H,3,8,11H2,1-2H3.
What are the key properties of 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one?
1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one has a molecular weight of 300.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43496797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).