2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide

C19H23ClN2O4S — CID 7643378

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-22(5-2)19(23)14-26-17-10-8-16(9-11-17)21(3)27(24,25)18-12-6-15(20)7-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyYOTFUWQUASKPGB-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide (PubChem CID 7643378) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
PubChem CID7643378
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-22(5-2)19(23)14-26-17-10-8-16(9-11-17)21(3)27(24,25)18-12-6-15(20)7-13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyYOTFUWQUASKPGB-UHFFFAOYSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-(3-methylphenoxy)acetate
CID 26203223
N-[4-[6-[butyl(methyl)amino]hexoxy]phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 23446582
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19210329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide (CID 7643378) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide?
The InChIKey is YOTFUWQUASKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-22(5-2)19(23)14-26-17-10-8-16(9-11-17)21(3)27(24,25)18-12-6-15(20)7-13-18/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide has a molecular weight of 410.92 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 7643378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).