N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide

C18H16N2O6S2 — CID 2362987

IUPACN-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H]4CCOC4=O)nc3c2)cc1
InChIInChI=1S/C18H16N2O6S2/c1-24-12-4-2-11(3-5-12)20-28(22,23)13-6-7-15-14(10-13)19-18(26-15)27-16-8-9-25-17(16)21/h2-7,10,16,20H,8-9H2,1H3/t16-/m1/s1
InChIKeyNOWOOBYETVYTST-MRXNPFEDSA-N
MW420.47 g/mol
LogP3.04
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide

N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 2362987) has the molecular formula C18H16N2O6S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide
PubChem CID2362987
Molecular FormulaC18H16N2O6S2
Molecular Weight420.47 g/mol
Exact Mass420.04
IUPAC NameN-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H]4CCOC4=O)nc3c2)cc1
InChIInChI=1S/C18H16N2O6S2/c1-24-12-4-2-11(3-5-12)20-28(22,23)13-6-7-15-14(10-13)19-18(26-15)27-16-8-9-25-17(16)21/h2-7,10,16,20H,8-9H2,1H3/t16-/m1/s1
InChIKeyNOWOOBYETVYTST-MRXNPFEDSA-N
XLogP3.04
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25048536
(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one
CID 41094226
2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2347049
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25040601
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 16609733
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-methylacetamide
CID 98410091
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25036274
4-[[2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 25038704
N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25043575
dimethyl 2-[[2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 25047387
N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25040638
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide (CID 2362987) is N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H]4CCOC4=O)nc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is NOWOOBYETVYTST-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16N2O6S2/c1-24-12-4-2-11(3-5-12)20-28(22,23)13-6-7-15-14(10-13)19-18(26-15)27-16-8-9-25-17(16)21/h2-7,10,16,20H,8-9H2,1H3/t16-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide?
N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 420.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 2362987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).