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

C12H17ClN2O4S — CID 50944939

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O4S/c1-4-9(12(14)16)15(20(3,17)18)10-7-8(13)5-6-11(10)19-2/h5-7,9H,4H2,1-3H3,(H2,14,16)
InChIKeySLMQHHFWLBIRBC-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.38
Rot. Bonds6

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

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 50944939) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID50944939
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O4S/c1-4-9(12(14)16)15(20(3,17)18)10-7-8(13)5-6-11(10)19-2/h5-7,9H,4H2,1-3H3,(H2,14,16)
InChIKeySLMQHHFWLBIRBC-UHFFFAOYSA-N
XLogP1.38
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.38
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-(4-ethylphenyl)butanamide
CID 132667627
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132667624
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 133220295
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-fluorophenyl)ethyl]butanamide
CID 125042859
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 133235166
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-chloro-2-methylphenyl)butanamide
CID 132673434
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133265131
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 125087716

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide (CID 50944939) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is SLMQHHFWLBIRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-4-9(12(14)16)15(20(3,17)18)10-7-8(13)5-6-11(10)19-2/h5-7,9H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 320.80 g/mol, XLogP of 1.38, 6 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)butanamide is sourced from PubChem (CID 50944939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).