2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide

C19H21ClN2O5S — CID 164596482

IUPAC2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COCC1COC1
InChIInChI=1S/C19H21ClN2O5S/c20-17-4-2-1-3-14(17)7-19(23)22-16-6-5-15(18(8-16)28(21,24)25)12-27-11-13-9-26-10-13/h1-6,8,13H,7,9-12H2,(H,22,23)(H2,21,24,25)
InChIKeyJAIHCIVFKPVKSZ-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.33
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide (PubChem CID 164596482) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
PubChem CID164596482
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COCC1COC1
InChIInChI=1S/C19H21ClN2O5S/c20-17-4-2-1-3-14(17)7-19(23)22-16-6-5-15(18(8-16)28(21,24)25)12-27-11-13-9-26-10-13/h1-6,8,13H,7,9-12H2,(H,22,23)(H2,21,24,25)
InChIKeyJAIHCIVFKPVKSZ-UHFFFAOYSA-N
XLogP2.33
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
CID 159529468
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 161277840

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide (CID 164596482) is 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COCC1COC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide?
The InChIKey is JAIHCIVFKPVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c20-17-4-2-1-3-14(17)7-19(23)22-16-6-5-15(18(8-16)28(21,24)25)12-27-11-13-9-26-10-13/h1-6,8,13H,7,9-12H2,(H,22,23)(H2,21,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 164596482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).