N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide

C15H26N4O3S — CID 119689771

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C15H26N4O3S/c1-16-10-6-7-15(20)17-13-11-12(23(21,22)19(4)5)8-9-14(13)18(2)3/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,20)
InChIKeyRFRYDLOZOKDZQI-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.94
Rot. Bonds8

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide (PubChem CID 119689771) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
PubChem CID119689771
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C15H26N4O3S/c1-16-10-6-7-15(20)17-13-11-12(23(21,22)19(4)5)8-9-14(13)18(2)3/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,20)
InChIKeyRFRYDLOZOKDZQI-UHFFFAOYSA-N
XLogP0.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33080098
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
methyl 3-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpropanoate
CID 9344465
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 119949036
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296
ethyl 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylacetate
CID 9286924
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide (CID 119689771) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide?
The InChIKey is RFRYDLOZOKDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-16-10-6-7-15(20)17-13-11-12(23(21,22)19(4)5)8-9-14(13)18(2)3/h8-9,11,16H,6-7,10H2,1-5H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide has a molecular weight of 342.47 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119689771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).