N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

C23H23N3O5S2 — CID 2331868

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N3O5S2/c27-22(16-4-7-18(8-5-16)33(28,29)26-10-2-1-3-11-26)25-23-24-19(15-32-23)17-6-9-20-21(14-17)31-13-12-30-20/h4-9,14-15H,1-3,10-13H2,(H,24,25,27)
InChIKeyGIKPKXMPTNRNAI-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2331868) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2331868
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N3O5S2/c27-22(16-4-7-18(8-5-16)33(28,29)26-10-2-1-3-11-26)25-23-24-19(15-32-23)17-6-9-20-21(14-17)31-13-12-30-20/h4-9,14-15H,1-3,10-13H2,(H,24,25,27)
InChIKeyGIKPKXMPTNRNAI-UHFFFAOYSA-N
XLogP4.01
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide with MolForge

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Related Compounds

ML277
CID 53347902
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144346
N-(4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiazol-2-yl)cyclopentanecarboxamide
CID 2443447

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 2331868) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GIKPKXMPTNRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c27-22(16-4-7-18(8-5-16)33(28,29)26-10-2-1-3-11-26)25-23-24-19(15-32-23)17-6-9-20-21(14-17)31-13-12-30-20/h4-9,14-15H,1-3,10-13H2,(H,24,25,27).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 485.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2331868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).