2-(4-methoxy-N-methylsulfonylanilino)propanamide

C11H16N2O4S — CID 2888930

IUPAC2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8(11(12)14)13(18(3,15)16)9-4-6-10(17-2)7-5-9/h4-8H,1-3H3,(H2,12,14)
InChIKeyVFBQGOUQPCACJK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.34
Rot. Bonds5

About 2-(4-methoxy-N-methylsulfonylanilino)propanamide

2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 2888930) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID2888930
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8(11(12)14)13(18(3,15)16)9-4-6-10(17-2)7-5-9/h4-8H,1-3H3,(H2,12,14)
InChIKeyVFBQGOUQPCACJK-UHFFFAOYSA-N
XLogP0.34
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94012081
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
(2R)-N-cyclohexyl-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
(2S)-N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998674
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 2888930) is 2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is VFBQGOUQPCACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(11(12)14)13(18(3,15)16)9-4-6-10(17-2)7-5-9/h4-8H,1-3H3,(H2,12,14).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)propanamide?
2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 272.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2888930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).