N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C16H20N4O5S — CID 91792762

IUPACN-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N4O5S/c1-7-6-8(2)16(14-11(7)18-25-19-14)26(22,23)20-12-10-4-5-24-15(10)13(12)17-9(3)21/h6,10,12-13,15,20H,4-5H2,1-3H3,(H,17,21)/t10-,12+,13-,15-/m1/s1
InChIKeyQTHOVMVFQQRLAN-CQROYNQRSA-N
MW380.43 g/mol
LogP0.41
Rot. Bonds4

About N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 91792762) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID91792762
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N4O5S/c1-7-6-8(2)16(14-11(7)18-25-19-14)26(22,23)20-12-10-4-5-24-15(10)13(12)17-9(3)21/h6,10,12-13,15,20H,4-5H2,1-3H3,(H,17,21)/t10-,12+,13-,15-/m1/s1
InChIKeyQTHOVMVFQQRLAN-CQROYNQRSA-N
XLogP0.41
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 91792762) is N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is CC(=O)N[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is QTHOVMVFQQRLAN-CQROYNQRSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-7-6-8(2)16(14-11(7)18-25-19-14)26(22,23)20-12-10-4-5-24-15(10)13(12)17-9(3)21/h6,10,12-13,15,20H,4-5H2,1-3H3,(H,17,21)/t10-,12+,13-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 380.43 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 91792762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).