N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide

C21H28N2O3S — CID 110415332

IUPACN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-12-14-20(15-13-18)27(25,26)23(2)17-16-22-21(24)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24)
InChIKeyCGSVXFNHYYQGCT-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.14
Rot. Bonds10

About N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide

N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide (PubChem CID 110415332) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
PubChem CID110415332
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-12-14-20(15-13-18)27(25,26)23(2)17-16-22-21(24)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24)
InChIKeyCGSVXFNHYYQGCT-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
CID 110415330
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110609610
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 2136205
N-(4-phenylbutyl)hexanamide
CID 4985988

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide?
The IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide (CID 110415332) is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide?
The canonical SMILES for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide is Cc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide?
The InChIKey is CGSVXFNHYYQGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-12-14-20(15-13-18)27(25,26)23(2)17-16-22-21(24)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide?
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide has a molecular weight of 388.53 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide is sourced from PubChem (CID 110415332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).