N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide

C24H24ClN3O5S — CID 71458393

IUPACN-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C24H24ClN3O5S/c1-14-4-7-19(15(2)10-14)24(30)28-21-12-17(25)5-9-22(21)33-13-23(29)27-20-8-6-18(11-16(20)3)34(26,31)32/h4-12H,13H2,1-3H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyDDTHUHNKQLEEON-UHFFFAOYSA-N
MW501.99 g/mol
LogP4.18
Rot. Bonds7

About N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide

N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide (PubChem CID 71458393) has the molecular formula C24H24ClN3O5S and a molecular weight of 501.99 g/mol. Its IUPAC name is N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide
PubChem CID71458393
Molecular FormulaC24H24ClN3O5S
Molecular Weight501.99 g/mol
Exact Mass501.11
IUPAC NameN-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C24H24ClN3O5S/c1-14-4-7-19(15(2)10-14)24(30)28-21-12-17(25)5-9-22(21)33-13-23(29)27-20-8-6-18(11-16(20)3)34(26,31)32/h4-12H,13H2,1-3H3,(H,27,29)(H,28,30)(H2,26,31,32)
InChIKeyDDTHUHNKQLEEON-UHFFFAOYSA-N
XLogP4.18
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.99
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)-2-methylphenyl)-2-(4-chloro-2-(3-fluoro-5-(trifluoromethyl)benzoyl)phenoxy)-
CID 486517
GW-678248
CID 486532
Gw-695634
CID 9916697
2-[4-chloro-2-(3-cyano-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486530
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3,4-dimethyl-benzamide
CID 71449415
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,5-dimethyl-benzamide
CID 71454769
3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]benzamide
CID 71456540
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2-nitro-benzamide
CID 71458392
3-chloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-5-cyano-benzamide
CID 71458396
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3-nitro-benzamide
CID 71461955
2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486527
2-[4-chloro-2-(3,5-dimethylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486533

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide (CID 71458393) is N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1.
What is the InChIKey of N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide?
The InChIKey is DDTHUHNKQLEEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5S/c1-14-4-7-19(15(2)10-14)24(30)28-21-12-17(25)5-9-22(21)33-13-23(29)27-20-8-6-18(11-16(20)3)34(26,31)32/h4-12H,13H2,1-3H3,(H,27,29)(H,28,30)(H2,26,31,32).
What are the key properties of N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide?
N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide has a molecular weight of 501.99 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[2-(2-methyl-4-sulfamoylanilino)-2-oxoethoxy]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 71458393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).