N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C21H20ClFN2O4S2 — CID 31182109

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H20ClFN2O4S2/c1-24(13-17-18(22)5-3-6-19(17)23)20(26)14-29-16-10-8-15(9-11-16)25(2)31(27,28)21-7-4-12-30-21/h3-12H,13-14H2,1-2H3
InChIKeyGZRXSUWXDCCCMD-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.40
Rot. Bonds8

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 31182109) has the molecular formula C21H20ClFN2O4S2 and a molecular weight of 482.99 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID31182109
Molecular FormulaC21H20ClFN2O4S2
Molecular Weight482.99 g/mol
Exact Mass482.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H20ClFN2O4S2/c1-24(13-17-18(22)5-3-6-19(17)23)20(26)14-29-16-10-8-15(9-11-16)25(2)31(27,28)21-7-4-12-30-21/h3-12H,13-14H2,1-2H3
InChIKeyGZRXSUWXDCCCMD-UHFFFAOYSA-N
XLogP4.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31237396
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16552072
[2-(4-chloroanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 2339750
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46795479
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 112788312
N-cyclopropyl-N-(3-methylbutyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55733038

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 31182109) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is GZRXSUWXDCCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O4S2/c1-24(13-17-18(22)5-3-6-19(17)23)20(26)14-29-16-10-8-15(9-11-16)25(2)31(27,28)21-7-4-12-30-21/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 482.99 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 31182109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).