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

C20H25ClN2O4S — CID 132667627

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)C(CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-5-14-7-10-16(11-8-14)22-20(24)17(6-2)23(28(4,25)26)18-13-15(21)9-12-19(18)27-3/h7-13,17H,5-6H2,1-4H3,(H,22,24)
InChIKeyVOUKVSZCAKLAGW-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.09
Rot. Bonds8

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

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide (PubChem CID 132667627) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
PubChem CID132667627
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)C(CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-5-14-7-10-16(11-8-14)22-20(24)17(6-2)23(28(4,25)26)18-13-15(21)9-12-19(18)27-3/h7-13,17H,5-6H2,1-4H3,(H,22,24)
InChIKeyVOUKVSZCAKLAGW-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)butanamide
CID 132669270
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 132668084
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-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
CID 132671730
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 125064925
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide (CID 132667627) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)C(CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The InChIKey is VOUKVSZCAKLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-5-14-7-10-16(11-8-14)22-20(24)17(6-2)23(28(4,25)26)18-13-15(21)9-12-19(18)27-3/h7-13,17H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide has a molecular weight of 424.95 g/mol, XLogP of 4.09, 8 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-ethylphenyl)butanamide is sourced from PubChem (CID 132667627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).