(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

C25H29NO4S2 — CID 10504599

IUPAC(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCCO[C@H](C/[S@@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H29NO4S2/c1-5-30-25(21-10-12-22(29-4)13-11-21)18-31(23-14-6-19(2)7-15-23)26-32(27,28)24-16-8-20(3)9-17-24/h6-17,25H,5,18H2,1-4H3/t25-,31-/m1/s1
InChIKeyROYYEXLXNBNJFJ-OOWIMERYSA-N
MW471.64 g/mol
LogP5.64
Rot. Bonds9

About (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 10504599) has the molecular formula C25H29NO4S2 and a molecular weight of 471.64 g/mol. Its IUPAC name is (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID10504599
Molecular FormulaC25H29NO4S2
Molecular Weight471.64 g/mol
Exact Mass471.15
IUPAC Name(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCCO[C@H](C/[S@@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H29NO4S2/c1-5-30-25(21-10-12-22(29-4)13-11-21)18-31(23-14-6-19(2)7-15-23)26-32(27,28)24-16-8-20(3)9-17-24/h6-17,25H,5,18H2,1-4H3/t25-,31-/m1/s1
InChIKeyROYYEXLXNBNJFJ-OOWIMERYSA-N
XLogP5.64
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
1-(4-methoxyphenyl)propyl 4-methylbenzenesulfonate
CID 159505591
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
ethyl 2-[(4-methoxyphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-oxobutanoate
CID 71579305
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6098605
N-[(3R)-3-(4-methoxyphenyl)-3-prop-2-enoxypropyl]-4-methylbenzenesulfonamide
CID 102381092

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide (CID 10504599) is (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is CCO[C@H](C/[S@@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is ROYYEXLXNBNJFJ-OOWIMERYSA-N. The full InChI is InChI=1S/C25H29NO4S2/c1-5-30-25(21-10-12-22(29-4)13-11-21)18-31(23-14-6-19(2)7-15-23)26-32(27,28)24-16-8-20(3)9-17-24/h6-17,25H,5,18H2,1-4H3/t25-,31-/m1/s1.
What are the key properties of (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 471.64 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[(2S)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-(4-methylphenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10504599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).