(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide

C18H22N2O4S — CID 9179674

IUPAC(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-8-10-17(11-9-13)24-14(2)18(21)19-15-6-5-7-16(12-15)20(3)25(4,22)23/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyADXHREMRCPTWCC-AWEZNQCLSA-N
MW362.45 g/mol
LogP2.80
Rot. Bonds6

About (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide

(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 9179674) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID9179674
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-8-10-17(11-9-13)24-14(2)18(21)19-15-6-5-7-16(12-15)20(3)25(4,22)23/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyADXHREMRCPTWCC-AWEZNQCLSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 30397106
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
CID 132659215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide (CID 9179674) is (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is ADXHREMRCPTWCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-8-10-17(11-9-13)24-14(2)18(21)19-15-6-5-7-16(12-15)20(3)25(4,22)23/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 9179674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).