N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide

C23H25N3O4S — CID 56529969

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)on2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-17-9-11-18(12-10-17)21-16-22(30-25-21)24-23(27)19-7-6-8-20(15-19)31(28,29)26-13-4-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,27)
InChIKeyQFCLWWDXGVDSDQ-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.33
Rot. Bonds6

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 56529969) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID56529969
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)on2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-17-9-11-18(12-10-17)21-16-22(30-25-21)24-23(27)19-7-6-8-20(15-19)31(28,29)26-13-4-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,27)
InChIKeyQFCLWWDXGVDSDQ-UHFFFAOYSA-N
XLogP4.33
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
CID 55476044
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
[2-(4-ethylphenyl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2510979
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 56529969) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide is CCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QFCLWWDXGVDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-17-9-11-18(12-10-17)21-16-22(30-25-21)24-23(27)19-7-6-8-20(15-19)31(28,29)26-13-4-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,27).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 56529969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).