2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H25N3O3S — CID 137338425

IUPAC2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCCN(C(=O)C2CCOC2)CC1)NCc1cccs1
InChIInChI=1S/C17H25N3O3S/c21-16(18-11-15-3-1-10-24-15)12-19-5-2-6-20(8-7-19)17(22)14-4-9-23-13-14/h1,3,10,14H,2,4-9,11-13H2,(H,18,21)
InChIKeyBDPUABHIMVVDEG-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 137338425) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID137338425
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCCN(C(=O)C2CCOC2)CC1)NCc1cccs1
InChIInChI=1S/C17H25N3O3S/c21-16(18-11-15-3-1-10-24-15)12-19-5-2-6-20(8-7-19)17(22)14-4-9-23-13-14/h1,3,10,14H,2,4-9,11-13H2,(H,18,21)
InChIKeyBDPUABHIMVVDEG-UHFFFAOYSA-N
XLogP0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide 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-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137345310
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
N-cyclopropyl-2-oxo-2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetamide
CID 55735282
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137342205
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 137338425) is 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCCN(C(=O)C2CCOC2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BDPUABHIMVVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-16(18-11-15-3-1-10-24-15)12-19-5-2-6-20(8-7-19)17(22)14-4-9-23-13-14/h1,3,10,14H,2,4-9,11-13H2,(H,18,21).
What are the key properties of 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 137338425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).