N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide

C14H14N2O4S2 — CID 110783690

IUPACN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCC1Oc2ccc(CNS(=O)(=O)c3cccs3)cc2NC1=O
InChIInChI=1S/C14H14N2O4S2/c1-9-14(17)16-11-7-10(4-5-12(11)20-9)8-15-22(18,19)13-3-2-6-21-13/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyGBQCRSOFCXAYSB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds4

About N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110783690) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID110783690
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCC1Oc2ccc(CNS(=O)(=O)c3cccs3)cc2NC1=O
InChIInChI=1S/C14H14N2O4S2/c1-9-14(17)16-11-7-10(4-5-12(11)20-9)8-15-22(18,19)13-3-2-6-21-13/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyGBQCRSOFCXAYSB-UHFFFAOYSA-N
XLogP1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783688
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962904
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194667
6-[(azetidin-3-ylmethylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115207554
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 110666144
6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498131
6-(2-chloroethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82255541
6-(2-aminoethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623121
1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-propan-2-ylurea
CID 110775237
3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]butanamide
CID 110783616
6-[[chloromethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115263215
6-[[aminomethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115225912

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide (CID 110783690) is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide is CC1Oc2ccc(CNS(=O)(=O)c3cccs3)cc2NC1=O.
What is the InChIKey of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is GBQCRSOFCXAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-9-14(17)16-11-7-10(4-5-12(11)20-9)8-15-22(18,19)13-3-2-6-21-13/h2-7,9,15H,8H2,1H3,(H,16,17).
What are the key properties of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide?
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110783690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).