(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide

C22H27ClN2O5S — CID 92685233

IUPAC(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-3-18(30-19-10-6-5-9-17(19)23)22(26)24-16-11-12-20(29-2)21(15-16)31(27,28)25-13-7-4-8-14-25/h5-6,9-12,15,18H,3-4,7-8,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyNJNSZYPNGPLKGA-GOSISDBHSA-N
MW466.99 g/mol
LogP4.32
Rot. Bonds8

About (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide

(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 92685233) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID92685233
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-3-18(30-19-10-6-5-9-17(19)23)22(26)24-16-11-12-20(29-2)21(15-16)31(27,28)25-13-7-4-8-14-25/h5-6,9-12,15,18H,3-4,7-8,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyNJNSZYPNGPLKGA-GOSISDBHSA-N
XLogP4.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 43904320
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
CID 97070489
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (CID 92685233) is (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is NJNSZYPNGPLKGA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-3-18(30-19-10-6-5-9-17(19)23)22(26)24-16-11-12-20(29-2)21(15-16)31(27,28)25-13-7-4-8-14-25/h5-6,9-12,15,18H,3-4,7-8,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 466.99 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 92685233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).