3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C14H14N2O4S2 — CID 110733980

IUPAC3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1
InChIInChI=1S/C14H14N2O4S2/c1-9-3-4-10(21-9)8-15-22(18,19)11-5-6-12-13(7-11)20-14(17)16(12)2/h3-7,15H,8H2,1-2H3
InChIKeyJGYRESLKXPEUCH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds4

About 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110733980) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110733980
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1
InChIInChI=1S/C14H14N2O4S2/c1-9-3-4-10(21-9)8-15-22(18,19)11-5-6-12-13(7-11)20-14(17)16(12)2/h3-7,15H,8H2,1-2H3
InChIKeyJGYRESLKXPEUCH-UHFFFAOYSA-N
XLogP1.98
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119989748
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729172
3-methyl-2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 110789460
N-[3-(dipropylamino)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242629
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120717520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110733980) is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1.
What is the InChIKey of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is JGYRESLKXPEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-9-3-4-10(21-9)8-15-22(18,19)11-5-6-12-13(7-11)20-14(17)16(12)2/h3-7,15H,8H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).