N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide

C20H33N3O4S — CID 56546081

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)9-7-8-19(24)21-16-17-10-12-18(13-11-17)28(26,27)22(3)4/h10-13H,5-9,14-16H2,1-4H3,(H,21,24)
InChIKeyDOTNKXAEOPSPRN-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.37
Rot. Bonds12

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56546081) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56546081
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)9-7-8-19(24)21-16-17-10-12-18(13-11-17)28(26,27)22(3)4/h10-13H,5-9,14-16H2,1-4H3,(H,21,24)
InChIKeyDOTNKXAEOPSPRN-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-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
CID 17248911
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide (CID 56546081) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is DOTNKXAEOPSPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)9-7-8-19(24)21-16-17-10-12-18(13-11-17)28(26,27)22(3)4/h10-13H,5-9,14-16H2,1-4H3,(H,21,24).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide?
N-[[4-(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-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56546081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).