N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide

C19H24N2O4S — CID 133229425

IUPACN-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cccc(COC)c1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-18(21(26(3,23)24)17-11-6-5-7-12-17)19(22)20-16-10-8-9-15(13-16)14-25-2/h5-13,18H,4,14H2,1-3H3,(H,20,22)
InChIKeyIHEGHBFSNWKNQN-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.02
Rot. Bonds8

About N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide

N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide (PubChem CID 133229425) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
PubChem CID133229425
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cccc(COC)c1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-18(21(26(3,23)24)17-11-6-5-7-12-17)19(22)20-16-10-8-9-15(13-16)14-25-2/h5-13,18H,4,14H2,1-3H3,(H,20,22)
InChIKeyIHEGHBFSNWKNQN-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 125058110
4-tert-butyl-N-[3-[[(2S)-2-(N-methylsulfonylanilino)butanoyl]amino]phenyl]benzamide
CID 94013317
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
ethyl 2-chloro-4-[[(2R)-2-(N-methylsulfonylanilino)butanoyl]amino]benzoate
CID 93488458
(2S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 94012165
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132670099
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
N-[(3-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
CID 53282957
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide (CID 133229425) is N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1cccc(COC)c1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide?
The InChIKey is IHEGHBFSNWKNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-18(21(26(3,23)24)17-11-6-5-7-12-17)19(22)20-16-10-8-9-15(13-16)14-25-2/h5-13,18H,4,14H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide?
N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide has a molecular weight of 376.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133229425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).