N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide

C19H25N3O5S — CID 20879564

IUPACN-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCCCC1
InChIInChI=1S/C19H25N3O5S/c23-18(21-10-4-1-5-11-21)13-22-16-9-8-15(12-17(16)27-19(22)24)28(25,26)20-14-6-2-3-7-14/h8-9,12,14,20H,1-7,10-11,13H2
InChIKeyDHVNIYREQKFUNX-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.83
Rot. Bonds5

About N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide

N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 20879564) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID20879564
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCCCC1
InChIInChI=1S/C19H25N3O5S/c23-18(21-10-4-1-5-11-21)13-22-16-9-8-15(12-17(16)27-19(22)24)28(25,26)20-14-6-2-3-7-14/h8-9,12,14,20H,1-7,10-11,13H2
InChIKeyDHVNIYREQKFUNX-UHFFFAOYSA-N
XLogP1.83
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590656
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20879555
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
6-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 82357321
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 45106325
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
N-cyclopentyl-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 53080995
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
N-cyclooctyl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 46389273

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide (CID 20879564) is N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCCCC1.
What is the InChIKey of N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is DHVNIYREQKFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c23-18(21-10-4-1-5-11-21)13-22-16-9-8-15(12-17(16)27-19(22)24)28(25,26)20-14-6-2-3-7-14/h8-9,12,14,20H,1-7,10-11,13H2.
What are the key properties of N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide?
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 407.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 20879564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).