N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide

C14H22N2O4S — CID 79194533

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
SMILESCc1ccc(NC(=O)CCCCO)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O4S/c1-11-7-8-12(15-14(18)6-4-5-9-17)10-13(11)21(19,20)16(2)3/h7-8,10,17H,4-6,9H2,1-3H3,(H,15,18)
InChIKeySQABXACZMOOWOU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide (PubChem CID 79194533) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
PubChem CID79194533
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
SMILESCc1ccc(NC(=O)CCCCO)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O4S/c1-11-7-8-12(15-14(18)6-4-5-9-17)10-13(11)21(19,20)16(2)3/h7-8,10,17H,4-6,9H2,1-3H3,(H,15,18)
InChIKeySQABXACZMOOWOU-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
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

5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
4-[[3-(dimethylsulfamoyl)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122073881
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide (CID 79194533) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide is Cc1ccc(NC(=O)CCCCO)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide?
The InChIKey is SQABXACZMOOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-7-8-12(15-14(18)6-4-5-9-17)10-13(11)21(19,20)16(2)3/h7-8,10,17H,4-6,9H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide has a molecular weight of 314.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide is sourced from PubChem (CID 79194533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).