N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C29H36N2O4S — CID 54783633

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H36N2O4S/c1-22-12-13-23(2)27(20-22)35-19-9-18-29(3,4)28(32)30-25-14-16-26(17-15-25)36(33,34)31(5)21-24-10-7-6-8-11-24/h6-8,10-17,20H,9,18-19,21H2,1-5H3,(H,30,32)
InChIKeyGOEDXTPJAPWYLA-UHFFFAOYSA-N
MW508.68 g/mol
LogP5.95
Rot. Bonds11

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 54783633) has the molecular formula C29H36N2O4S and a molecular weight of 508.68 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
PubChem CID54783633
Molecular FormulaC29H36N2O4S
Molecular Weight508.68 g/mol
Exact Mass508.24
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H36N2O4S/c1-22-12-13-23(2)27(20-22)35-19-9-18-29(3,4)28(32)30-25-14-16-26(17-15-25)36(33,34)31(5)21-24-10-7-6-8-11-24/h6-8,10-17,20H,9,18-19,21H2,1-5H3,(H,30,32)
InChIKeyGOEDXTPJAPWYLA-UHFFFAOYSA-N
XLogP5.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.68
LogP ≤ 55.95
H-Bond Donors ≤ 51
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-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784163
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
CID 54783509
N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide
CID 54783734
2-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]acetic acid
CID 70410381
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
3-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]propanoic acid
CID 70409817
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]benzamide
CID 54783799
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-prop-2-enoxyphenyl)pentanamide
CID 54783933

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 54783633) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The InChIKey is GOEDXTPJAPWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4S/c1-22-12-13-23(2)27(20-22)35-19-9-18-29(3,4)28(32)30-25-14-16-26(17-15-25)36(33,34)31(5)21-24-10-7-6-8-11-24/h6-8,10-17,20H,9,18-19,21H2,1-5H3,(H,30,32).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 508.68 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 54783633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).