N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide

C25H32N4O3S — CID 54255975

IUPACN-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H32N4O3S/c1-5-29(6-2)18-17-26-25(30)19-13-15-20(16-14-19)27-33(31,32)24-12-8-9-21-22(24)10-7-11-23(21)28(3)4/h7-16,27H,5-6,17-18H2,1-4H3,(H,26,30)
InChIKeyRACCJXONZVXOLA-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.78
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide (PubChem CID 54255975) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
PubChem CID54255975
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H32N4O3S/c1-5-29(6-2)18-17-26-25(30)19-13-15-20(16-14-19)27-33(31,32)24-12-8-9-21-22(24)10-7-11-23(21)28(3)4/h7-16,27H,5-6,17-18H2,1-4H3,(H,26,30)
InChIKeyRACCJXONZVXOLA-UHFFFAOYSA-N
XLogP3.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 3291122
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 177435164
N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide (CID 54255975) is N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The InChIKey is RACCJXONZVXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-5-29(6-2)18-17-26-25(30)19-13-15-20(16-14-19)27-33(31,32)24-12-8-9-21-22(24)10-7-11-23(21)28(3)4/h7-16,27H,5-6,17-18H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide has a molecular weight of 468.62 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide is sourced from PubChem (CID 54255975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).