N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide

C21H29N3O5S — CID 20879513

IUPACN-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1
InChIInChI=1S/C21H29N3O5S/c25-20(22-16-8-4-1-2-5-9-16)15-24-18-11-10-17(14-19(18)29-21(24)26)30(27,28)23-12-6-3-7-13-23/h10-11,14,16H,1-9,12-13,15H2,(H,22,25)
InChIKeyDDRIFJJUEDUXRI-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.61
Rot. Bonds5

About N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide

N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 20879513) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
PubChem CID20879513
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1
InChIInChI=1S/C21H29N3O5S/c25-20(22-16-8-4-1-2-5-9-16)15-24-18-11-10-17(14-19(18)29-21(24)26)30(27,28)23-12-6-3-7-13-23/h10-11,14,16H,1-9,12-13,15H2,(H,22,25)
InChIKeyDDRIFJJUEDUXRI-UHFFFAOYSA-N
XLogP2.61
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20879530
N-(oxolan-2-ylmethyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126457292
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080581
N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 23603543
N-(2-chlorophenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260081
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20879528
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-fluorophenyl)acetamide
CID 23603552

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide (CID 20879513) is N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is DDRIFJJUEDUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c25-20(22-16-8-4-1-2-5-9-16)15-24-18-11-10-17(14-19(18)29-21(24)26)30(27,28)23-12-6-3-7-13-23/h10-11,14,16H,1-9,12-13,15H2,(H,22,25).
What are the key properties of N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide?
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 435.55 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 20879513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).