N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide

C23H24N4O5S — CID 53136016

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C23H24N4O5S/c28-23(25-17-4-9-21-22(14-17)32-13-12-31-21)20-15-26(16-24-20)18-5-7-19(8-6-18)33(29,30)27-10-2-1-3-11-27/h4-9,14-16H,1-3,10-13H2,(H,25,28)
InChIKeyHFDJVLSQTIRBHA-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.07
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 53136016) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID53136016
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C23H24N4O5S/c28-23(25-17-4-9-21-22(14-17)32-13-12-31-21)20-15-26(16-24-20)18-5-7-19(8-6-18)33(29,30)27-10-2-1-3-11-27/h4-9,14-16H,1-3,10-13H2,(H,25,28)
InChIKeyHFDJVLSQTIRBHA-UHFFFAOYSA-N
XLogP3.07
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2704625
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025
1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 53136007
1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
CID 53136053
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
3-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1202069
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432051
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704617
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554821

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide (CID 53136016) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is HFDJVLSQTIRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-23(25-17-4-9-21-22(14-17)32-13-12-31-21)20-15-26(16-24-20)18-5-7-19(8-6-18)33(29,30)27-10-2-1-3-11-27/h4-9,14-16H,1-3,10-13H2,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).