N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C15H17N3O6S — CID 133267231

IUPACN-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C15H17N3O6S/c1-7(19)16-13-12(9-4-5-23-14(9)13)18-25(21,22)8-2-3-11-10(6-8)17-15(20)24-11/h2-3,6,9,12-14,18H,4-5H2,1H3,(H,16,19)(H,17,20)/t9-,12+,13-,14-/m0/s1
InChIKeyMBRIYYYOKNPAGL-VZLIPTOUSA-N
MW367.38 g/mol
LogP-0.31
Rot. Bonds4

About N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 133267231) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID133267231
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C15H17N3O6S/c1-7(19)16-13-12(9-4-5-23-14(9)13)18-25(21,22)8-2-3-11-10(6-8)17-15(20)24-11/h2-3,6,9,12-14,18H,4-5H2,1H3,(H,16,19)(H,17,20)/t9-,12+,13-,14-/m0/s1
InChIKeyMBRIYYYOKNPAGL-VZLIPTOUSA-N
XLogP-0.31
TPSA130.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91764327
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-bromo-3-methylbenzenesulfonamide
CID 66196908
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110868860
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 146024901
N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024943
N-[(5R,6S,8R,10R)-9,9-dimethyl-5-[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]ethyl]-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 155987407
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 133267231) is N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is CC(=O)N[C@H]1[C@H](NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is MBRIYYYOKNPAGL-VZLIPTOUSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-7(19)16-13-12(9-4-5-23-14(9)13)18-25(21,22)8-2-3-11-10(6-8)17-15(20)24-11/h2-3,6,9,12-14,18H,4-5H2,1H3,(H,16,19)(H,17,20)/t9-,12+,13-,14-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 133267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).