N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide

C23H30ClN3O5S — CID 55395819

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C23H30ClN3O5S/c1-5-27(6-2)33(30,31)19-11-7-17(8-12-19)9-14-23(29)26(3)16-22(28)25-20-15-18(24)10-13-21(20)32-4/h7-8,10-13,15H,5-6,9,14,16H2,1-4H3,(H,25,28)
InChIKeySEYPHHZOMGBKBX-UHFFFAOYSA-N
MW496.03 g/mol
LogP3.41
Rot. Bonds11

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide (PubChem CID 55395819) has the molecular formula C23H30ClN3O5S and a molecular weight of 496.03 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
PubChem CID55395819
Molecular FormulaC23H30ClN3O5S
Molecular Weight496.03 g/mol
Exact Mass495.16
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C23H30ClN3O5S/c1-5-27(6-2)33(30,31)19-11-7-17(8-12-19)9-14-23(29)26(3)16-22(28)25-20-15-18(24)10-13-21(20)32-4/h7-8,10-13,15H,5-6,9,14,16H2,1-4H3,(H,25,28)
InChIKeySEYPHHZOMGBKBX-UHFFFAOYSA-N
XLogP3.41
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
CID 30127373
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
CID 55754958
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55533606
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide (CID 55395819) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide?
The InChIKey is SEYPHHZOMGBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5S/c1-5-27(6-2)33(30,31)19-11-7-17(8-12-19)9-14-23(29)26(3)16-22(28)25-20-15-18(24)10-13-21(20)32-4/h7-8,10-13,15H,5-6,9,14,16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide has a molecular weight of 496.03 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 55395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).