N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide

C19H24N2O4S — CID 43886338

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1CN(C)C(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-15(21(26(4,23)24)17-11-6-5-7-12-17)19(22)20(2)14-16-10-8-9-13-18(16)25-3/h5-13,15H,14H2,1-4H3
InChIKeyPWJNDUNVDHCBKY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.51
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide (PubChem CID 43886338) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
PubChem CID43886338
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1CN(C)C(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-15(21(26(4,23)24)17-11-6-5-7-12-17)19(22)20(2)14-16-10-8-9-13-18(16)25-3/h5-13,15H,14H2,1-4H3
InChIKeyPWJNDUNVDHCBKY-UHFFFAOYSA-N
XLogP2.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 28631757
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 28633407
(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 43905083
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 43905161
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 125060507
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133219255
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide (CID 43886338) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide is COc1ccccc1CN(C)C(=O)C(C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is PWJNDUNVDHCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(21(26(4,23)24)17-11-6-5-7-12-17)19(22)20(2)14-16-10-8-9-13-18(16)25-3/h5-13,15H,14H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 43886338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).