N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

C26H31NO5S — CID 55629089

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)s1
InChIInChI=1S/C26H31NO5S/c1-18-4-10-24(33-18)21(29)8-6-20(28)7-11-25(30)27-17-26(12-2-3-13-26)19-5-9-22-23(16-19)32-15-14-31-22/h4-5,9-10,16H,2-3,6-8,11-15,17H2,1H3,(H,27,30)
InChIKeyXIZLQTRUVRJIER-UHFFFAOYSA-N
MW469.60 g/mol
LogP4.77
Rot. Bonds10

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (PubChem CID 55629089) has the molecular formula C26H31NO5S and a molecular weight of 469.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
PubChem CID55629089
Molecular FormulaC26H31NO5S
Molecular Weight469.60 g/mol
Exact Mass469.19
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)s1
InChIInChI=1S/C26H31NO5S/c1-18-4-10-24(33-18)21(29)8-6-20(28)7-11-25(30)27-17-26(12-2-3-13-26)19-5-9-22-23(16-19)32-15-14-31-22/h4-5,9-10,16H,2-3,6-8,11-15,17H2,1H3,(H,27,30)
InChIKeyXIZLQTRUVRJIER-UHFFFAOYSA-N
XLogP4.77
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide 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-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 18139455
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 46417934
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]butanamide
CID 9112477
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067809
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 17468783
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (CID 55629089) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is Cc1ccc(C(=O)CCC(=O)CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)s1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The InChIKey is XIZLQTRUVRJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5S/c1-18-4-10-24(33-18)21(29)8-6-20(28)7-11-25(30)27-17-26(12-2-3-13-26)19-5-9-22-23(16-19)32-15-14-31-22/h4-5,9-10,16H,2-3,6-8,11-15,17H2,1H3,(H,27,30).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide has a molecular weight of 469.60 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is sourced from PubChem (CID 55629089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).