2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

C21H25N3O2S — CID 119462719

IUPAC2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25N3O2S/c25-19(17-7-6-15-4-1-5-16(15)11-17)24-21-18(8-10-27-21)20(26)23-13-14-3-2-9-22-12-14/h6-8,10-11,14,22H,1-5,9,12-13H2,(H,23,26)(H,24,25)
InChIKeyQDNVJQSSONAUMX-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.22
Rot. Bonds5

About 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 119462719) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID119462719
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H25N3O2S/c25-19(17-7-6-15-4-1-5-16(15)11-17)24-21-18(8-10-27-21)20(26)23-13-14-3-2-9-22-12-14/h6-8,10-11,14,22H,1-5,9,12-13H2,(H,23,26)(H,24,25)
InChIKeyQDNVJQSSONAUMX-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide 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

2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120556634
2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462858
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
2-oxo-N-(piperidin-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102711450
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119463989
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (CID 119462719) is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is O=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is QDNVJQSSONAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-19(17-7-6-15-4-1-5-16(15)11-17)24-21-18(8-10-27-21)20(26)23-13-14-3-2-9-22-12-14/h6-8,10-11,14,22H,1-5,9,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 119462719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).