N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

C21H25N3O4S2 — CID 100505777

IUPACN-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O
InChIInChI=1S/C21H25N3O4S2/c1-15(25)22-19-14-18(10-11-20(19)29-2)30(27,28)23-17-8-6-16(7-9-17)21(26)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyIUVAVPXZJRIDLF-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.79
Rot. Bonds6

About N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 100505777) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID100505777
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC NameN-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O
InChIInChI=1S/C21H25N3O4S2/c1-15(25)22-19-14-18(10-11-20(19)29-2)30(27,28)23-17-8-6-16(7-9-17)21(26)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyIUVAVPXZJRIDLF-UHFFFAOYSA-N
XLogP3.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-methylsulfanyl-5-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]propanamide
CID 100508449
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 50947671
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 20973047
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100501916

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (CID 100505777) is N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O.
What is the InChIKey of N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is IUVAVPXZJRIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-15(25)22-19-14-18(10-11-20(19)29-2)30(27,28)23-17-8-6-16(7-9-17)21(26)24-12-4-3-5-13-24/h6-11,14,23H,3-5,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100505777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).