N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H30N2O5S — CID 27899280

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H30N2O5S/c28-24(19-6-5-7-21(16-19)33(29,30)27-12-3-4-13-27)26-18-25(10-1-2-11-25)20-8-9-22-23(17-20)32-15-14-31-22/h5-9,16-17H,1-4,10-15,18H2,(H,26,28)
InChIKeyZBDNYDVFTOVBBF-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.48
Rot. Bonds6

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 27899280) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID27899280
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H30N2O5S/c28-24(19-6-5-7-21(16-19)33(29,30)27-12-3-4-13-27)26-18-25(10-1-2-11-25)20-8-9-22-23(17-20)32-15-14-31-22/h5-9,16-17H,1-4,10-15,18H2,(H,26,28)
InChIKeyZBDNYDVFTOVBBF-UHFFFAOYSA-N
XLogP3.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 60551800
3-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1202069
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 16572435
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 92547331
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46414762
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090819
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55556849
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 27899280) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZBDNYDVFTOVBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c28-24(19-6-5-7-21(16-19)33(29,30)27-12-3-4-13-27)26-18-25(10-1-2-11-25)20-8-9-22-23(17-20)32-15-14-31-22/h5-9,16-17H,1-4,10-15,18H2,(H,26,28).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 470.59 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27899280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).