N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide

C17H23N3O3S — CID 127266985

IUPACN-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide
SMILESCOc1cc(CC(C)Nc2ccc(C)c(NS(C)(=O)=O)c2)ccn1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-15(11-16(12)20-24(4,21)22)19-13(2)9-14-7-8-18-17(10-14)23-3/h5-8,10-11,13,19-20H,9H2,1-4H3
InChIKeyFSFRYHTVRWOOGA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.81
Rot. Bonds7

About N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide

N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide (PubChem CID 127266985) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide
PubChem CID127266985
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide
SMILESCOc1cc(CC(C)Nc2ccc(C)c(NS(C)(=O)=O)c2)ccn1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-15(11-16(12)20-24(4,21)22)19-13(2)9-14-7-8-18-17(10-14)23-3/h5-8,10-11,13,19-20H,9H2,1-4H3
InChIKeyFSFRYHTVRWOOGA-UHFFFAOYSA-N
XLogP2.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 75509356
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106062082
N-[2-methyl-5-[[6-[4-(2-methylpropyl)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 155544134
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide (CID 127266985) is N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide is COc1cc(CC(C)Nc2ccc(C)c(NS(C)(=O)=O)c2)ccn1.
What is the InChIKey of N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The InChIKey is FSFRYHTVRWOOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-6-15(11-16(12)20-24(4,21)22)19-13(2)9-14-7-8-18-17(10-14)23-3/h5-8,10-11,13,19-20H,9H2,1-4H3.
What are the key properties of N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide?
N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 127266985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).