2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide

C16H25ClN2O4S — CID 1007844

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-19(6-2)16(20)11-23-15-8-7-13(9-14(15)17)24(21,22)18-10-12(3)4/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyWDDAPLCNSASPQT-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.52
Rot. Bonds9

About 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide (PubChem CID 1007844) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
PubChem CID1007844
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-19(6-2)16(20)11-23-15-8-7-13(9-14(15)17)24(21,22)18-10-12(3)4/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyWDDAPLCNSASPQT-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814211
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2207126
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 126274408
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide
CID 1007870
N,N-dibenzyl-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126386552
2-[2-chloro-4-[(2-methoxyphenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 55603766
2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 38942586
2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
CID 171134247

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide (CID 1007844) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide?
The InChIKey is WDDAPLCNSASPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-5-19(6-2)16(20)11-23-15-8-7-13(9-14(15)17)24(21,22)18-10-12(3)4/h7-9,12,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide has a molecular weight of 376.91 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 1007844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).