(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide

C21H21N3O5S — CID 28632657

IUPAC(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O5S/c1-15(29-19-9-7-18(28-2)8-10-19)21(25)23-16-5-11-20(12-6-16)30(26,27)24-17-4-3-13-22-14-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyOKFOVMSMDBMRPU-HNNXBMFYSA-N
MW427.48 g/mol
LogP3.30
Rot. Bonds8

About (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide

(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide (PubChem CID 28632657) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
PubChem CID28632657
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O5S/c1-15(29-19-9-7-18(28-2)8-10-19)21(25)23-16-5-11-20(12-6-16)30(26,27)24-17-4-3-13-22-14-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyOKFOVMSMDBMRPU-HNNXBMFYSA-N
XLogP3.30
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide (CID 28632657) is (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
The InChIKey is OKFOVMSMDBMRPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-15(29-19-9-7-18(28-2)8-10-19)21(25)23-16-5-11-20(12-6-16)30(26,27)24-17-4-3-13-22-14-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide?
(2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28632657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).