(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

C19H23ClN2O5S — CID 92679623

IUPAC(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)22-28(24,25)16-8-9-18(26-4)17(11-16)21-19(23)13(3)27-15-7-5-6-14(20)10-15/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyVEIWPJOYJNQRMP-ZDUSSCGKSA-N
MW426.92 g/mol
LogP3.44
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 92679623) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID92679623
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)22-28(24,25)16-8-9-18(26-4)17(11-16)21-19(23)13(3)27-15-7-5-6-14(20)10-15/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyVEIWPJOYJNQRMP-ZDUSSCGKSA-N
XLogP3.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 93488180
(2R)-2-(3-chlorophenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30394294
(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26065788
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 92679623) is (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is VEIWPJOYJNQRMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-12(2)22-28(24,25)16-8-9-18(26-4)17(11-16)21-19(23)13(3)27-15-7-5-6-14(20)10-15/h5-13,22H,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 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-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 92679623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).