2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide

C24H33N3O3S2 — CID 133184701

IUPAC2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C24H33N3O3S2/c1-17(2)24(28)26-22-14-21(11-12-23(22)31-4)32(29,30)25-15-19-7-9-20(10-8-19)27-13-5-6-18(3)16-27/h7-12,14,17-18,25H,5-6,13,15-16H2,1-4H3,(H,26,28)
InChIKeyMTWNMEUHSNZLNW-UHFFFAOYSA-N
MW475.68 g/mol
LogP4.72
Rot. Bonds8

About 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide

2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide (PubChem CID 133184701) has the molecular formula C24H33N3O3S2 and a molecular weight of 475.68 g/mol. Its IUPAC name is 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
PubChem CID133184701
Molecular FormulaC24H33N3O3S2
Molecular Weight475.68 g/mol
Exact Mass475.20
IUPAC Name2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C24H33N3O3S2/c1-17(2)24(28)26-22-14-21(11-12-23(22)31-4)32(29,30)25-15-19-7-9-20(10-8-19)27-13-5-6-18(3)16-27/h7-12,14,17-18,25H,5-6,13,15-16H2,1-4H3,(H,26,28)
InChIKeyMTWNMEUHSNZLNW-UHFFFAOYSA-N
XLogP4.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 54.72
H-Bond Donors ≤ 52
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

2-methyl-N-[2-methylsulfanyl-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]propanamide
CID 100602128
2-methyl-N-[2-methylsulfanyl-5-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]propanamide
CID 100508449
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
N-ethyl-2-methoxy-5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzamide
CID 132673669
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
CID 133161258
methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048
N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133228886
3-[(4-chlorophenyl)methyl]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753232
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide (CID 133184701) is 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide is CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)cc1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide?
The InChIKey is MTWNMEUHSNZLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S2/c1-17(2)24(28)26-22-14-21(11-12-23(22)31-4)32(29,30)25-15-19-7-9-20(10-8-19)27-13-5-6-18(3)16-27/h7-12,14,17-18,25H,5-6,13,15-16H2,1-4H3,(H,26,28).
What are the key properties of 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide?
2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide has a molecular weight of 475.68 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide is sourced from PubChem (CID 133184701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).