2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide

C17H15ClN2O5S2 — CID 67603969

IUPAC2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide
SMILESCOc1ccc(C(C(=O)NS(=O)(=O)c2ccsc2)c2onc(C)c2Cl)cc1
InChIInChI=1S/C17H15ClN2O5S2/c1-10-15(18)16(25-19-10)14(11-3-5-12(24-2)6-4-11)17(21)20-27(22,23)13-7-8-26-9-13/h3-9,14H,1-2H3,(H,20,21)
InChIKeyYUICEHBOJHXFCY-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.34
Rot. Bonds6

About 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide

2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide (PubChem CID 67603969) has the molecular formula C17H15ClN2O5S2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide
PubChem CID67603969
Molecular FormulaC17H15ClN2O5S2
Molecular Weight426.90 g/mol
Exact Mass426.01
IUPAC Name2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide
SMILESCOc1ccc(C(C(=O)NS(=O)(=O)c2ccsc2)c2onc(C)c2Cl)cc1
InChIInChI=1S/C17H15ClN2O5S2/c1-10-15(18)16(25-19-10)14(11-3-5-12(24-2)6-4-11)17(21)20-27(22,23)13-7-8-26-9-13/h3-9,14H,1-2H3,(H,20,21)
InChIKeyYUICEHBOJHXFCY-UHFFFAOYSA-N
XLogP3.34
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide with MolForge

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Related Compounds

methyl N-thiophen-3-ylsulfonylcarbamate
CID 23445473
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-ethyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 70248458
(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
CID 94190804
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 53266320
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide
CID 51709019
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51927549
(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
CID 94187653
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide?
The IUPAC name of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide (CID 67603969) is 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide?
The canonical SMILES for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide is COc1ccc(C(C(=O)NS(=O)(=O)c2ccsc2)c2onc(C)c2Cl)cc1.
What is the InChIKey of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide?
The InChIKey is YUICEHBOJHXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S2/c1-10-15(18)16(25-19-10)14(11-3-5-12(24-2)6-4-11)17(21)20-27(22,23)13-7-8-26-9-13/h3-9,14H,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide?
2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide has a molecular weight of 426.90 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-N-thiophen-3-ylsulfonylacetamide is sourced from PubChem (CID 67603969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).