(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide

C15H16N2O4S2 — CID 124852411

IUPAC(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESC[C@H]1Oc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc2NC1=O
InChIInChI=1S/C15H16N2O4S2/c1-10-15(18)16-13-6-5-12(8-14(13)21-10)23(19,20)17(2)9-11-4-3-7-22-11/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyUSKUOWUOJRTPKL-SNVBAGLBSA-N
MW352.44 g/mol
LogP2.29
Rot. Bonds4

About (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide

(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 124852411) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID124852411
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESC[C@H]1Oc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc2NC1=O
InChIInChI=1S/C15H16N2O4S2/c1-10-15(18)16-13-6-5-12(8-14(13)21-10)23(19,20)17(2)9-11-4-3-7-22-11/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyUSKUOWUOJRTPKL-SNVBAGLBSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 124853126
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
(2S)-2-methyl-7-(4-methylsulfonylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 124853473
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 171134147
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
N-cyclohexyl-3-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20936105

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide (CID 124852411) is (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide is C[C@H]1Oc2cc(S(=O)(=O)N(C)Cc3cccs3)ccc2NC1=O.
What is the InChIKey of (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is USKUOWUOJRTPKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-10-15(18)16-13-6-5-12(8-14(13)21-10)23(19,20)17(2)9-11-4-3-7-22-11/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 124852411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).