N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide

C21H27ClN4O4S — CID 24510641

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C21H27ClN4O4S/c1-4-26(5-2)31(29,30)17-9-6-8-16(12-17)23-13-20(27)24-14-21(28)25-19-11-7-10-18(22)15(19)3/h6-12,23H,4-5,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyASYIWGGXCKWZLN-UHFFFAOYSA-N
MW466.99 g/mol
LogP2.85
Rot. Bonds10

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide (PubChem CID 24510641) has the molecular formula C21H27ClN4O4S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
PubChem CID24510641
Molecular FormulaC21H27ClN4O4S
Molecular Weight466.99 g/mol
Exact Mass466.14
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C21H27ClN4O4S/c1-4-26(5-2)31(29,30)17-9-6-8-16(12-17)23-13-20(27)24-14-21(28)25-19-11-7-10-18(22)15(19)3/h6-12,23H,4-5,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyASYIWGGXCKWZLN-UHFFFAOYSA-N
XLogP2.85
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 9083540
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
CID 18096539
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide (CID 24510641) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide is CCN(CC)S(=O)(=O)c1cccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide?
The InChIKey is ASYIWGGXCKWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4S/c1-4-26(5-2)31(29,30)17-9-6-8-16(12-17)23-13-20(27)24-14-21(28)25-19-11-7-10-18(22)15(19)3/h6-12,23H,4-5,13-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide has a molecular weight of 466.99 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 24510641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).