2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone

C20H22N2O2S — CID 135087435

IUPAC2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCCN(C(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C20H22N2O2S/c23-19(16-8-13-25-14-16)21-9-3-10-22(12-11-21)20(24)18-7-6-15-4-1-2-5-17(15)18/h1-2,4-5,8,13-14,18H,3,6-7,9-12H2
InChIKeyQREFAQWJCRODGN-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.15
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone

2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 135087435) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID135087435
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCCN(C(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C20H22N2O2S/c23-19(16-8-13-25-14-16)21-9-3-10-22(12-11-21)20(24)18-7-6-15-4-1-2-5-17(15)18/h1-2,4-5,8,13-14,18H,3,6-7,9-12H2
InChIKeyQREFAQWJCRODGN-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone 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

1-[4-(2,3-dihydro-1H-indene-1-carbonyl)-1,4-diazepan-1-yl]-3-methylsulfonylpropan-1-one
CID 135095195
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95584813
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862
1-[3-[4-(thiophene-3-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]ethanone
CID 137337558
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone (CID 135087435) is 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone is O=C(c1ccsc1)N1CCCN(C(=O)C2CCc3ccccc32)CC1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is QREFAQWJCRODGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(16-8-13-25-14-16)21-9-3-10-22(12-11-21)20(24)18-7-6-15-4-1-2-5-17(15)18/h1-2,4-5,8,13-14,18H,3,6-7,9-12H2.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone?
2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 354.47 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 135087435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).