2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide

C18H21ClN4O5S — CID 2540668

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21ClN4O5S/c1-23(11-18(25)22-15-9-12(19)3-8-16(15)28-2)10-17(24)21-13-4-6-14(7-5-13)29(20,26)27/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyFXOCKDKEFKVVEE-UHFFFAOYSA-N
MW440.91 g/mol
LogP1.50
Rot. Bonds8

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2540668) has the molecular formula C18H21ClN4O5S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2540668
Molecular FormulaC18H21ClN4O5S
Molecular Weight440.91 g/mol
Exact Mass440.09
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21ClN4O5S/c1-23(11-18(25)22-15-9-12(19)3-8-16(15)28-2)10-17(24)21-13-4-6-14(7-5-13)29(20,26)27/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyFXOCKDKEFKVVEE-UHFFFAOYSA-N
XLogP1.50
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45371831
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide (CID 2540668) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is FXOCKDKEFKVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O5S/c1-23(11-18(25)22-15-9-12(19)3-8-16(15)28-2)10-17(24)21-13-4-6-14(7-5-13)29(20,26)27/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 440.91 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).