(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide

C17H27N3O4S — CID 95397525

IUPAC(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(17(21)18-14-9-11-19(2)12-10-14)24-16-7-5-15(6-8-16)20(3)25(4,22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyGKVFFWXLCMQQEY-CYBMUJFWSA-N
MW369.49 g/mol
LogP1.06
Rot. Bonds6

About (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 95397525) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID95397525
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(17(21)18-14-9-11-19(2)12-10-14)24-16-7-5-15(6-8-16)20(3)25(4,22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyGKVFFWXLCMQQEY-CYBMUJFWSA-N
XLogP1.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)butanamide
CID 100600808
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 100584423
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687016
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687007
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 108560076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide (CID 95397525) is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide is C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is GKVFFWXLCMQQEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(17(21)18-14-9-11-19(2)12-10-14)24-16-7-5-15(6-8-16)20(3)25(4,22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide?
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 369.49 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95397525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).