N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide

C19H24N2OS — CID 155102311

IUPACN-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide
SMILESCN(C)CCSc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-21(2)14-15-23-18-11-7-6-8-16(18)12-13-20-19(22)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyRDTYCOJMKYMLTB-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.31
Rot. Bonds8

About N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide

N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide (PubChem CID 155102311) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide
PubChem CID155102311
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide
SMILESCN(C)CCSc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-21(2)14-15-23-18-11-7-6-8-16(18)12-13-20-19(22)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyRDTYCOJMKYMLTB-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
CID 19811110
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
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CID 109053381
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-(2-benzamidoethyl)benzamide
CID 173153264
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
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CID 109060145

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide (CID 155102311) is N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide is CN(C)CCSc1ccccc1CCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide?
The InChIKey is RDTYCOJMKYMLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-21(2)14-15-23-18-11-7-6-8-16(18)12-13-20-19(22)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide?
N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 155102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).