N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

C22H20N4O5S2 — CID 39072606

IUPACN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H20N4O5S2/c27-20(14-4-7-16(8-5-14)33(29,30)26-10-2-1-3-11-26)25-21-23-18(13-32-21)15-6-9-19-17(12-15)24-22(28)31-19/h4-9,12-13H,1-3,10-11H2,(H,24,28)(H,23,25,27)
InChIKeyATLKITZNOADYHJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 39072606) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID39072606
Molecular FormulaC22H20N4O5S2
Molecular Weight484.56 g/mol
Exact Mass484.09
IUPAC NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H20N4O5S2/c27-20(14-4-7-16(8-5-14)33(29,30)26-10-2-1-3-11-26)25-21-23-18(13-32-21)15-6-9-19-17(12-15)24-22(28)31-19/h4-9,12-13H,1-3,10-11H2,(H,24,28)(H,23,25,27)
InChIKeyATLKITZNOADYHJ-UHFFFAOYSA-N
XLogP3.67
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3536744
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3433357
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
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CID 2141431
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4071488
4-chloro-3-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4501031
2-bromo-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39072513
4-heptoxy-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 39072606) is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ATLKITZNOADYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S2/c27-20(14-4-7-16(8-5-14)33(29,30)26-10-2-1-3-11-26)25-21-23-18(13-32-21)15-6-9-19-17(12-15)24-22(28)31-19/h4-9,12-13H,1-3,10-11H2,(H,24,28)(H,23,25,27).
What are the key properties of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 484.56 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 39072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).