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

C14H14N2O4S2 — CID 110404582

IUPACN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCN1C(=O)C(CNS(=O)(=O)c2cccs2)Oc2ccccc21
InChIInChI=1S/C14H14N2O4S2/c1-16-10-5-2-3-6-11(10)20-12(14(16)17)9-15-22(18,19)13-7-4-8-21-13/h2-8,12,15H,9H2,1H3
InChIKeyQSRQPPGCSLXPDP-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.45
Rot. Bonds4

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

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110404582) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID110404582
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCN1C(=O)C(CNS(=O)(=O)c2cccs2)Oc2ccccc21
InChIInChI=1S/C14H14N2O4S2/c1-16-10-5-2-3-6-11(10)20-12(14(16)17)9-15-22(18,19)13-7-4-8-21-13/h2-8,12,15H,9H2,1H3
InChIKeyQSRQPPGCSLXPDP-UHFFFAOYSA-N
XLogP1.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110404901
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328218
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328320
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
CID 91354078

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide (CID 110404582) is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide is CN1C(=O)C(CNS(=O)(=O)c2cccs2)Oc2ccccc21.
What is the InChIKey of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QSRQPPGCSLXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-16-10-5-2-3-6-11(10)20-12(14(16)17)9-15-22(18,19)13-7-4-8-21-13/h2-8,12,15H,9H2,1H3.
What are the key properties of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide?
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110404582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).