(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C22H23N3O5S2 — CID 28565199

IUPAC(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC
InChIInChI=1S/C22H23N3O5S2/c1-15(31-17-9-12-19(29-2)20(14-17)30-3)22(26)24-16-7-10-18(11-8-16)32(27,28)25-21-6-4-5-13-23-21/h4-15H,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyKGAUQGZMQHDOMY-OAHLLOKOSA-N
MW473.58 g/mol
LogP4.02
Rot. Bonds9

About (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 28565199) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID28565199
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC
InChIInChI=1S/C22H23N3O5S2/c1-15(31-17-9-12-19(29-2)20(14-17)30-3)22(26)24-16-7-10-18(11-8-16)32(27,28)25-21-6-4-5-13-23-21/h4-15H,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyKGAUQGZMQHDOMY-OAHLLOKOSA-N
XLogP4.02
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43886626
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 46762832
(2S)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027073
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94018937
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94864154
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25034800
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 43875866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 28565199) is (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is KGAUQGZMQHDOMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-15(31-17-9-12-19(29-2)20(14-17)30-3)22(26)24-16-7-10-18(11-8-16)32(27,28)25-21-6-4-5-13-23-21/h4-15H,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 473.58 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28565199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).