N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C18H22N2O4S — CID 2111388

IUPACN-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)20-25(22,23)17-10-8-16(9-11-17)24-13-18(21)19-12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyVFVJOCXUIIYLHC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.07
Rot. Bonds8

About N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 2111388) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID2111388
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)20-25(22,23)17-10-8-16(9-11-17)24-13-18(21)19-12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyVFVJOCXUIIYLHC-UHFFFAOYSA-N
XLogP2.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoic acid
CID 513410
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-(tert-butoxy)-N-hydroxypropanamide
CID 10765385
Sms1-IN-1
CID 91938094
(2S)-2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 44582013
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
N-[(4-Methylphenyl)methyl]-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 1359124
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 23656291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 2111388) is N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is VFVJOCXUIIYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(2)20-25(22,23)17-10-8-16(9-11-17)24-13-18(21)19-12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2111388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).