N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C23H35N5O2S — CID 78827690

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1
InChIInChI=1S/C23H35N5O2S/c1-3-28(4-2)22(30)17-27-14-12-26(13-15-27)11-10-21(29)25-23-19(16-24)18-8-6-5-7-9-20(18)31-23/h3-15,17H2,1-2H3,(H,25,29)
InChIKeyHYEGOASRKFERRE-UHFFFAOYSA-N
MW445.63 g/mol
LogP2.70
Rot. Bonds8

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 78827690) has the molecular formula C23H35N5O2S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID78827690
Molecular FormulaC23H35N5O2S
Molecular Weight445.63 g/mol
Exact Mass445.25
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1
InChIInChI=1S/C23H35N5O2S/c1-3-28(4-2)22(30)17-27-14-12-26(13-15-27)11-10-21(29)25-23-19(16-24)18-8-6-5-7-9-20(18)31-23/h3-15,17H2,1-2H3,(H,25,29)
InChIKeyHYEGOASRKFERRE-UHFFFAOYSA-N
XLogP2.70
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide 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

4-[3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3-oxopropyl]-N,N-diethylpiperazine-1-carboxamide
CID 37193300
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-1-yl)propanamide;oxalic acid
CID 45042536
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propanamide
CID 112826194
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589352
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 8688142
3-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
CID 55354571
ethyl 1-[3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropyl]piperidine-4-carboxylate
CID 24588636
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 8703871
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 55915522
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(dipropylamino)propanamide
CID 34599896
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)heptanamide
CID 3334122

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 78827690) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CCN(CC)C(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is HYEGOASRKFERRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S/c1-3-28(4-2)22(30)17-27-14-12-26(13-15-27)11-10-21(29)25-23-19(16-24)18-8-6-5-7-9-20(18)31-23/h3-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 445.63 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78827690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).