N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C20H23N3O2S — CID 119579024

IUPACN-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CCN1
InChIInChI=1S/C20H23N3O2S/c1-13-12-23(9-8-21-13)20(25)17-7-10-26-19(17)22-18(24)16-6-5-14-3-2-4-15(14)11-16/h5-7,10-11,13,21H,2-4,8-9,12H2,1H3,(H,22,24)
InChIKeyCPTKVQUPABEYMG-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.92
Rot. Bonds3

About N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 119579024) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID119579024
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CCN1
InChIInChI=1S/C20H23N3O2S/c1-13-12-23(9-8-21-13)20(25)17-7-10-26-19(17)22-18(24)16-6-5-14-3-2-4-15(14)11-16/h5-7,10-11,13,21H,2-4,8-9,12H2,1H3,(H,22,24)
InChIKeyCPTKVQUPABEYMG-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 119579024) is N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is CC1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CCN1.
What is the InChIKey of N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CPTKVQUPABEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-12-23(9-8-21-13)20(25)17-7-10-26-19(17)22-18(24)16-6-5-14-3-2-4-15(14)11-16/h5-7,10-11,13,21H,2-4,8-9,12H2,1H3,(H,22,24).
What are the key properties of N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 119579024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).