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

C16H18N2O5S2 — CID 71810414

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(C)s1
InChIInChI=1S/C16H18N2O5S2/c1-10-4-7-15(24-10)14(22-3)9-17-25(20,21)11-5-6-13-12(8-11)18(2)16(19)23-13/h4-8,14,17H,9H2,1-3H3
InChIKeyXTDTUGTZJHDYGT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.17
Rot. Bonds6

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

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 71810414) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID71810414
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(C)s1
InChIInChI=1S/C16H18N2O5S2/c1-10-4-7-15(24-10)14(22-3)9-17-25(20,21)11-5-6-13-12(8-11)18(2)16(19)23-13/h4-8,14,17H,9H2,1-3H3
InChIKeyXTDTUGTZJHDYGT-UHFFFAOYSA-N
XLogP2.17
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110733980
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
4-(1,1-dioxothiazinan-2-yl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417542

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 71810414) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is COC(CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is XTDTUGTZJHDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-10-4-7-15(24-10)14(22-3)9-17-25(20,21)11-5-6-13-12(8-11)18(2)16(19)23-13/h4-8,14,17H,9H2,1-3H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 382.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 71810414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).