(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C22H28N2O4S — CID 42505330

IUPAC(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-12-14-24(15-13-16)29(26,27)20-10-8-19(9-11-20)23-22(25)18(3)28-21-7-5-4-6-17(21)2/h4-11,16,18H,12-15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyKZEAPYKPDYADFR-GOSISDBHSA-N
MW416.54 g/mol
LogP3.82
Rot. Bonds6

About (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 42505330) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID42505330
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-12-14-24(15-13-16)29(26,27)20-10-8-19(9-11-20)23-22(25)18(3)28-21-7-5-4-6-17(21)2/h4-11,16,18H,12-15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyKZEAPYKPDYADFR-GOSISDBHSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 1033136
2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 42505329
(2R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 41301053
(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 98377173
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 42426694
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4932050
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 42505330) is (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is KZEAPYKPDYADFR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-12-14-24(15-13-16)29(26,27)20-10-8-19(9-11-20)23-22(25)18(3)28-21-7-5-4-6-17(21)2/h4-11,16,18H,12-15H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 42505330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).