6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C16H18N2O4S2 — CID 46273336

IUPAC6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCCc1sccc1C)OCC(=O)N2
InChIInChI=1S/C16H18N2O4S2/c1-10-4-6-23-14(10)3-5-17-24(20,21)15-8-13-12(7-11(15)2)18-16(19)9-22-13/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19)
InChIKeyFTWCABMIIBWDAJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.22
Rot. Bonds5

About 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 46273336) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID46273336
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCCc1sccc1C)OCC(=O)N2
InChIInChI=1S/C16H18N2O4S2/c1-10-4-6-23-14(10)3-5-17-24(20,21)15-8-13-12(7-11(15)2)18-16(19)9-22-13/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19)
InChIKeyFTWCABMIIBWDAJ-UHFFFAOYSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548331
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92683774
6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144
N-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055488
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzenesulfonamide
CID 110789961
6-chloro-N-[(4-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548468
6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 171134130
N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 6624217
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 46273336) is 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCCc1sccc1C)OCC(=O)N2.
What is the InChIKey of 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is FTWCABMIIBWDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-10-4-6-23-14(10)3-5-17-24(20,21)15-8-13-12(7-11(15)2)18-16(19)9-22-13/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 46273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).