N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H26N4O5S — CID 5309931

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H26N4O5S/c1-13-19(14(2)23(3)22-13)30(26,27)24-8-6-15(7-9-24)20(25)21-16-4-5-17-18(12-16)29-11-10-28-17/h4-5,12,15H,6-11H2,1-3H3,(H,21,25)
InChIKeyASWKGJIFIDNVHU-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.85
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5309931) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5309931
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H26N4O5S/c1-13-19(14(2)23(3)22-13)30(26,27)24-8-6-15(7-9-24)20(25)21-16-4-5-17-18(12-16)29-11-10-28-17/h4-5,12,15H,6-11H2,1-3H3,(H,21,25)
InChIKeyASWKGJIFIDNVHU-UHFFFAOYSA-N
XLogP1.85
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509135
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide
CID 3239135
N~1~-(3-methoxyphenyl)-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3241905
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307831
N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309400
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5309847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 1511735
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamide
CID 24793766
3-[3,5-Dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16027737
N-(3,4-Dimethoxyphenyl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 3244881
N-(4-ethoxyphenyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
CID 5309213

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5309931) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ASWKGJIFIDNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-13-19(14(2)23(3)22-13)30(26,27)24-8-6-15(7-9-24)20(25)21-16-4-5-17-18(12-16)29-11-10-28-17/h4-5,12,15H,6-11H2,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 1.85, 4 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-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).