(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C21H25ClN2O5S — CID 26065788

IUPAC(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O5S/c1-15(29-17-8-6-7-16(22)13-17)21(25)23-19-14-18(9-10-20(19)28-2)30(26,27)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyDKTFADVSSZUJNA-HNNXBMFYSA-N
MW452.96 g/mol
LogP3.93
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 26065788) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID26065788
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O5S/c1-15(29-17-8-6-7-16(22)13-17)21(25)23-19-14-18(9-10-20(19)28-2)30(26,27)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyDKTFADVSSZUJNA-HNNXBMFYSA-N
XLogP3.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30394294
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea
CID 8660097
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
CID 8659079
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 26065788) is (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DKTFADVSSZUJNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-15(29-17-8-6-7-16(22)13-17)21(25)23-19-14-18(9-10-20(19)28-2)30(26,27)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 452.96 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 26065788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).