4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

C19H24N2O3S2 — CID 95397526

IUPAC4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(20-26(22,23)19-9-7-18(25-2)8-10-19)16-3-5-17(6-4-16)21-11-13-24-14-12-21/h3-10,15,20H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyKFVYKUCAXAPEDF-HNNXBMFYSA-N
MW392.55 g/mol
LogP3.28
Rot. Bonds6

About 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide

4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 95397526) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
PubChem CID95397526
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(20-26(22,23)19-9-7-18(25-2)8-10-19)16-3-5-17(6-4-16)21-11-13-24-14-12-21/h3-10,15,20H,11-14H2,1-2H3/t15-/m0/s1
InChIKeyKFVYKUCAXAPEDF-HNNXBMFYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995
2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 48629418
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 56921459
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
4-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 133165611
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-fluoro-3-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 100696059
4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 43874224
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46440684

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide (CID 95397526) is 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KFVYKUCAXAPEDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(20-26(22,23)19-9-7-18(25-2)8-10-19)16-3-5-17(6-4-16)21-11-13-24-14-12-21/h3-10,15,20H,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide?
4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 95397526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).