2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide

C19H22Cl2N2O4S — CID 132673402

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1OC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-5-17(19(24)22-16-10-12(2)6-9-18(16)27-3)23(28(4,25)26)13-7-8-14(20)15(21)11-13/h6-11,17H,5H2,1-4H3,(H,22,24)
InChIKeyINTHSDDDMUPRQI-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.49
Rot. Bonds7

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 132673402) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID132673402
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1OC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S/c1-5-17(19(24)22-16-10-12(2)6-9-18(16)27-3)23(28(4,25)26)13-7-8-14(20)15(21)11-13/h6-11,17H,5H2,1-4H3,(H,22,24)
InChIKeyINTHSDDDMUPRQI-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132668652
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673391
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132667648
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 132667578
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132672211
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 125057311
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(3-chloro-4-methylphenoxy)ethyl]butanamide
CID 133245007
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217428
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 125085735

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide (CID 132673402) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide is CCC(C(=O)Nc1cc(C)ccc1OC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is INTHSDDDMUPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-5-17(19(24)22-16-10-12(2)6-9-18(16)27-3)23(28(4,25)26)13-7-8-14(20)15(21)11-13/h6-11,17H,5H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 445.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 132673402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).