(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide

C19H24N2O4S2 — CID 92679928

IUPAC(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C19H24N2O4S2/c1-13(2)21-27(23,24)16-10-11-18(25-4)17(12-16)20-19(22)14(3)26-15-8-6-5-7-9-15/h5-14,21H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyUIJVYOPVKKGMGF-CQSZACIVSA-N
MW408.55 g/mol
LogP3.50
Rot. Bonds8

About (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide

(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide (PubChem CID 92679928) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
PubChem CID92679928
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C19H24N2O4S2/c1-13(2)21-27(23,24)16-10-11-18(25-4)17(12-16)20-19(22)14(3)26-15-8-6-5-7-9-15/h5-14,21H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyUIJVYOPVKKGMGF-CQSZACIVSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30385415
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
CID 46764322
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 100608034
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 43904512

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide (CID 92679928) is (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Sc1ccccc1.
What is the InChIKey of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is UIJVYOPVKKGMGF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-13(2)21-27(23,24)16-10-11-18(25-4)17(12-16)20-19(22)14(3)26-15-8-6-5-7-9-15/h5-14,21H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide?
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 408.55 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 92679928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).