N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C23H28N4O3S — CID 90785555

IUPACN-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSC(c1nnc(-c2ccccc2C(=O)NCCCN(C)C)o1)c1ccccc1O
InChIInChI=1S/C23H28N4O3S/c1-4-31-20(18-12-7-8-13-19(18)28)23-26-25-22(30-23)17-11-6-5-10-16(17)21(29)24-14-9-15-27(2)3/h5-8,10-13,20,28H,4,9,14-15H2,1-3H3,(H,24,29)
InChIKeyVNSDDYSSWFRPMA-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.97
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 90785555) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID90785555
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSC(c1nnc(-c2ccccc2C(=O)NCCCN(C)C)o1)c1ccccc1O
InChIInChI=1S/C23H28N4O3S/c1-4-31-20(18-12-7-8-13-19(18)28)23-26-25-22(30-23)17-11-6-5-10-16(17)21(29)24-14-9-15-27(2)3/h5-8,10-13,20,28H,4,9,14-15H2,1-3H3,(H,24,29)
InChIKeyVNSDDYSSWFRPMA-UHFFFAOYSA-N
XLogP3.97
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[4-(dimethylamino)naphthalen-1-yl]-1,3,4-oxadiazol-2-yl]-ethylsulfanylmethyl]phenol
CID 91038139
bis[2-[[5-[4-[5-(dimethylamino)pentylcarbamoylamino]phenyl]-1,3,4-oxadiazol-2-yl]-ethylsulfanylmethyl]phenyl] oxalate
CID 91098135
3-[4-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,2-oxazole-5-carbaldehyde
CID 91248560
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
CID 59345613
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
2-[2-[3-(dimethylamino)propylcarbamoylamino]phenyl]benzoic acid
CID 70114830
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
N-butyl-2-phenylbenzamide
CID 21064565

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 90785555) is N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCSC(c1nnc(-c2ccccc2C(=O)NCCCN(C)C)o1)c1ccccc1O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VNSDDYSSWFRPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-31-20(18-12-7-8-13-19(18)28)23-26-25-22(30-23)17-11-6-5-10-16(17)21(29)24-14-9-15-27(2)3/h5-8,10-13,20,28H,4,9,14-15H2,1-3H3,(H,24,29).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 440.57 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[5-[ethylsulfanyl-(2-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 90785555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).