N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide

C19H19NO3S — CID 55912817

IUPACN-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1cccc2c1OCO2
InChIInChI=1S/C19H19NO3S/c21-19(14-8-5-10-16-18(14)23-12-22-16)20-15-9-3-4-11-17(15)24-13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21)
InChIKeyDQXLZZHWQLZTBS-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.70
Rot. Bonds4

About N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide

N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide (PubChem CID 55912817) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
PubChem CID55912817
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1cccc2c1OCO2
InChIInChI=1S/C19H19NO3S/c21-19(14-8-5-10-16-18(14)23-12-22-16)20-15-9-3-4-11-17(15)24-13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21)
InChIKeyDQXLZZHWQLZTBS-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 55873145
N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
CID 55615222
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
N-(2-cyclopentylsulfanylphenyl)pyridine-3-carboxamide
CID 31915721
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide (CID 55912817) is N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide is O=C(Nc1ccccc1SC1CCCC1)c1cccc2c1OCO2.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is DQXLZZHWQLZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-19(14-8-5-10-16-18(14)23-12-22-16)20-15-9-3-4-11-17(15)24-13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7,12H2,(H,20,21).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55912817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).