2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C18H20Cl2N2O4S — CID 45372185

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-22(27(24,25)17-10-13(19)6-7-14(17)20)11-18(23)21-15-9-12(2)5-8-16(15)26-3/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyBQUPOJCKCRWMIK-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.96
Rot. Bonds7

About 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 45372185) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID45372185
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-22(27(24,25)17-10-13(19)6-7-14(17)20)11-18(23)21-15-9-12(2)5-8-16(15)26-3/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyBQUPOJCKCRWMIK-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
N-(3-chloro-4-methylphenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372313
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126064839
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 45372185) is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide is CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is BQUPOJCKCRWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-4-22(27(24,25)17-10-13(19)6-7-14(17)20)11-18(23)21-15-9-12(2)5-8-16(15)26-3/h5-10H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 45372185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).