N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H24N4O6S — CID 25048108

IUPACN,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESO=c1oc2cc(S(=O)(=O)NCN3CCOCC3)ccc2n1CN1CCOCC1
InChIInChI=1S/C17H24N4O6S/c22-17-21(13-20-5-9-26-10-6-20)15-2-1-14(11-16(15)27-17)28(23,24)18-12-19-3-7-25-8-4-19/h1-2,11,18H,3-10,12-13H2
InChIKeyRWFRMXZVMRWOOE-UHFFFAOYSA-N
MW412.47 g/mol
LogP-0.55
Rot. Bonds6

About N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 25048108) has the molecular formula C17H24N4O6S and a molecular weight of 412.47 g/mol. Its IUPAC name is N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID25048108
Molecular FormulaC17H24N4O6S
Molecular Weight412.47 g/mol
Exact Mass412.14
IUPAC NameN,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESO=c1oc2cc(S(=O)(=O)NCN3CCOCC3)ccc2n1CN1CCOCC1
InChIInChI=1S/C17H24N4O6S/c22-17-21(13-20-5-9-26-10-6-20)15-2-1-14(11-16(15)27-17)28(23,24)18-12-19-3-7-25-8-4-19/h1-2,11,18H,3-10,12-13H2
InChIKeyRWFRMXZVMRWOOE-UHFFFAOYSA-N
XLogP-0.55
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 16673809
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259782
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-(morpholin-4-ylmethyl)-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one
CID 24744902
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154

Frequently Asked Questions

What is the IUPAC name of N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 25048108) is N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is O=c1oc2cc(S(=O)(=O)NCN3CCOCC3)ccc2n1CN1CCOCC1.
What is the InChIKey of N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is RWFRMXZVMRWOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O6S/c22-17-21(13-20-5-9-26-10-6-20)15-2-1-14(11-16(15)27-17)28(23,24)18-12-19-3-7-25-8-4-19/h1-2,11,18H,3-10,12-13H2.
What are the key properties of N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 25048108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).