2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide

C18H20Cl2N2O4S — CID 132669270

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-15(18(23)21-14-8-5-12(19)6-9-14)22(27(3,24)25)16-11-13(20)7-10-17(16)26-2/h5-11,15H,4H2,1-3H3,(H,21,23)
InChIKeyNPQDMDYPDYWQBW-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.19
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide (PubChem CID 132669270) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
PubChem CID132669270
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-15(18(23)21-14-8-5-12(19)6-9-14)22(27(3,24)25)16-11-13(20)7-10-17(16)26-2/h5-11,15H,4H2,1-3H3,(H,21,23)
InChIKeyNPQDMDYPDYWQBW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 132668084
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 132667627
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-chloro-2-methylphenyl)butanamide
CID 132673434
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide
CID 50944939
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132667624
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 132672791
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133265131
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673391
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 133220295
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660106
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 125042859

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide (CID 132669270) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide?
The InChIKey is NPQDMDYPDYWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-4-15(18(23)21-14-8-5-12(19)6-9-14)22(27(3,24)25)16-11-13(20)7-10-17(16)26-2/h5-11,15H,4H2,1-3H3,(H,21,23).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide has a molecular weight of 431.34 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 132669270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).