2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

C20H26N2O3S2 — CID 60575698

IUPAC2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)12-13-26-14-20(23)21-17-6-8-18(9-7-17)22-27(24,25)19-10-4-16(3)5-11-19/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyLJPGPIQJAUWTSJ-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.51
Rot. Bonds9

About 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 60575698) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID60575698
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)12-13-26-14-20(23)21-17-6-8-18(9-7-17)22-27(24,25)19-10-4-16(3)5-11-19/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyLJPGPIQJAUWTSJ-UHFFFAOYSA-N
XLogP4.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 60575698) is 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSCCC(C)C)cc2)cc1.
What is the InChIKey of 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is LJPGPIQJAUWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15(2)12-13-26-14-20(23)21-17-6-8-18(9-7-17)22-27(24,25)19-10-4-16(3)5-11-19/h4-11,15,22H,12-14H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 60575698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).