N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide

C17H23N3O2S — CID 705921

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESN#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCCCC2
InChIInChI=1S/C17H23N3O2S/c18-12-14-13-4-2-1-3-5-15(13)23-17(14)19-16(21)6-7-20-8-10-22-11-9-20/h1-11H2,(H,19,21)
InChIKeyTWAUSWMOJUDXAG-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.55
Rot. Bonds4

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide (PubChem CID 705921) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
PubChem CID705921
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESN#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCCCC2
InChIInChI=1S/C17H23N3O2S/c18-12-14-13-4-2-1-3-5-15(13)23-17(14)19-16(21)6-7-20-8-10-22-11-9-20/h1-11H2,(H,19,21)
InChIKeyTWAUSWMOJUDXAG-UHFFFAOYSA-N
XLogP2.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide 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-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 2900202
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 8031105
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(morpholin-4-yl)acetamide
CID 826287
N-[3-(4-morpholinylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]acetamide
CID 724225
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 17583897
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4174769
2-(2-morpholinoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2241030
N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-morpholin-4-yl propanamide
CID 2928822
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2239002
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
CID 24588596
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 27070044

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide (CID 705921) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide is N#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCCCC2.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is TWAUSWMOJUDXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c18-12-14-13-4-2-1-3-5-15(13)23-17(14)19-16(21)6-7-20-8-10-22-11-9-20/h1-11H2,(H,19,21).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 333.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 705921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).