N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

C20H25N3O4S — CID 16942353

IUPACN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCC3)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-15-6-3-4-13-23(15)28(25,26)16-11-9-14(10-12-16)19(24)21-20-17-7-5-8-18(17)22-27-20/h9-12,15H,2-8,13H2,1H3,(H,21,24)
InChIKeyIDSLMTMBWHEINL-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.37
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 16942353) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID16942353
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCC3)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-15-6-3-4-13-23(15)28(25,26)16-11-9-14(10-12-16)19(24)21-20-17-7-5-8-18(17)22-27-20/h9-12,15H,2-8,13H2,1H3,(H,21,24)
InChIKeyIDSLMTMBWHEINL-UHFFFAOYSA-N
XLogP3.37
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5055376
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41140010
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43974344

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (CID 16942353) is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCC3)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is IDSLMTMBWHEINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-15-6-3-4-13-23(15)28(25,26)16-11-9-14(10-12-16)19(24)21-20-17-7-5-8-18(17)22-27-20/h9-12,15H,2-8,13H2,1H3,(H,21,24).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 16942353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).