2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C21H28ClN3O4S — CID 25387721

IUPAC2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H28ClN3O4S/c1-5-25(6-2)30(27,28)18-10-11-20(29-4)19(13-18)24-21(26)14-23-15(3)16-8-7-9-17(22)12-16/h7-13,15,23H,5-6,14H2,1-4H3,(H,24,26)/t15-/m1/s1
InChIKeyMUYMZLMJXADPMO-OAHLLOKOSA-N
MW453.99 g/mol
LogP3.67
Rot. Bonds10

About 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 25387721) has the molecular formula C21H28ClN3O4S and a molecular weight of 453.99 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID25387721
Molecular FormulaC21H28ClN3O4S
Molecular Weight453.99 g/mol
Exact Mass453.15
IUPAC Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H28ClN3O4S/c1-5-25(6-2)30(27,28)18-10-11-20(29-4)19(13-18)24-21(26)14-23-15(3)16-8-7-9-17(22)12-16/h7-13,15,23H,5-6,14H2,1-4H3,(H,24,26)/t15-/m1/s1
InChIKeyMUYMZLMJXADPMO-OAHLLOKOSA-N
XLogP3.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.99
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 25387721) is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is MUYMZLMJXADPMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28ClN3O4S/c1-5-25(6-2)30(27,28)18-10-11-20(29-4)19(13-18)24-21(26)14-23-15(3)16-8-7-9-17(22)12-16/h7-13,15,23H,5-6,14H2,1-4H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 453.99 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 25387721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).