N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide

C17H20N2O5S — CID 91644275

IUPACN,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3OCC2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S/c1-11-10-23-14-8-6-5-7-13(14)19(11)17(20)15-9-16(12(2)24-15)25(21,22)18(3)4/h5-9,11H,10H2,1-4H3
InChIKeyPDQGEIZQDFQFRL-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.27
Rot. Bonds3

About N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide

N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide (PubChem CID 91644275) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
PubChem CID91644275
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3OCC2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S/c1-11-10-23-14-8-6-5-7-13(14)19(11)17(20)15-9-16(12(2)24-15)25(21,22)18(3)4/h5-9,11H,10H2,1-4H3
InChIKeyPDQGEIZQDFQFRL-UHFFFAOYSA-N
XLogP2.27
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide?
The IUPAC name of N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide (CID 91644275) is N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide is Cc1oc(C(=O)N2c3ccccc3OCC2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide?
The InChIKey is PDQGEIZQDFQFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11-10-23-14-8-6-5-7-13(14)19(11)17(20)15-9-16(12(2)24-15)25(21,22)18(3)4/h5-9,11H,10H2,1-4H3.
What are the key properties of N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide?
N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide has a molecular weight of 364.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide is sourced from PubChem (CID 91644275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).