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

C17H20N2O5S — CID 97029245

IUPACN,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3OC[C@H]2C)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/t11-/m1/s1
InChIKeyPDQGEIZQDFQFRL-LLVKDONJSA-N
MW364.42 g/mol
LogP2.27
Rot. Bonds3

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

N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide (PubChem CID 97029245) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
PubChem CID97029245
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3OC[C@H]2C)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/t11-/m1/s1
InChIKeyPDQGEIZQDFQFRL-LLVKDONJSA-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

Analyze N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
CID 91644275
N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide
CID 51894301
3-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 152767426
(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71924779
(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71987114
1-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-methylphenyl)ethanone
CID 95898964
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
CID 138039161
N,N,2,3-tetramethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 46816018
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-3-yl)methanone
CID 71987117
1-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-4-methylsulfanylbutan-1-one
CID 96519804
(4-ethylthiadiazol-5-yl)-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 95898926
1-[2-(dimethylsulfamoyl)phenyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721572

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide (CID 97029245) is N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide is Cc1oc(C(=O)N2c3ccccc3OC[C@H]2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide?
The InChIKey is PDQGEIZQDFQFRL-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide?
N,N,2-trimethyl-5-[(3R)-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-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide is sourced from PubChem (CID 97029245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).