N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C14H14N2O5S2 — CID 110663726

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H14N2O5S2/c1-16(8-11(17)13-3-2-6-22-13)23(19,20)9-4-5-10-12(7-9)21-14(18)15-10/h2-7,11,17H,8H2,1H3,(H,15,18)
InChIKeyBCQZOCAPCBVRPI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.54
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110663726) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110663726
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H14N2O5S2/c1-16(8-11(17)13-3-2-6-22-13)23(19,20)9-4-5-10-12(7-9)21-14(18)15-10/h2-7,11,17H,8H2,1H3,(H,15,18)
InChIKeyBCQZOCAPCBVRPI-UHFFFAOYSA-N
XLogP1.54
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115122051
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
CID 110663722
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide
CID 20949424
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110663726) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is CN(CC(O)c1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BCQZOCAPCBVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-16(8-11(17)13-3-2-6-22-13)23(19,20)9-4-5-10-12(7-9)21-14(18)15-10/h2-7,11,17H,8H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 354.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).