N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide

C20H33N3O4S — CID 56538624

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16-17-10-7-8-11-18(17)28(26,27)22(3)4/h7-8,10-11H,5-6,9,12-16H2,1-4H3,(H,21,24)
InChIKeyIBDJJXUSPBQWTI-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.37
Rot. Bonds12

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56538624) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56538624
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16-17-10-7-8-11-18(17)28(26,27)22(3)4/h7-8,10-11H,5-6,9,12-16H2,1-4H3,(H,21,24)
InChIKeyIBDJJXUSPBQWTI-UHFFFAOYSA-N
XLogP2.37
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546081
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546544
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 55591185
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
CID 55904290
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide (CID 56538624) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is IBDJJXUSPBQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16-17-10-7-8-11-18(17)28(26,27)22(3)4/h7-8,10-11H,5-6,9,12-16H2,1-4H3,(H,21,24).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide has a molecular weight of 411.57 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56538624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).