(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide

C22H28N2O5S — CID 97070489

IUPAC(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O5S/c1-16-7-10-19(11-8-16)29-17(2)22(25)23-18-9-12-20(28-3)21(15-18)30(26,27)24-13-5-4-6-14-24/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyKKFWNBQVEFUVGB-QGZVFWFLSA-N
MW432.54 g/mol
LogP3.58
Rot. Bonds7

About (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide

(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 97070489) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID97070489
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O5S/c1-16-7-10-19(11-8-16)29-17(2)22(25)23-18-9-12-20(28-3)21(15-18)30(26,27)24-13-5-4-6-14-24/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyKKFWNBQVEFUVGB-QGZVFWFLSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 43904320
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 43876928
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide (CID 97070489) is (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is KKFWNBQVEFUVGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-7-10-19(11-8-16)29-17(2)22(25)23-18-9-12-20(28-3)21(15-18)30(26,27)24-13-5-4-6-14-24/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide?
(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 432.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 97070489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).