N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide

C26H30N2O2S — CID 91231735

IUPACN-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(Sc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-3-28(4-2)19-18-27-26(30)22-12-10-20(11-13-22)25(21-14-16-23(29)17-15-21)31-24-8-6-5-7-9-24/h5-17,25,29H,3-4,18-19H2,1-2H3,(H,27,30)
InChIKeyFVOCCTLPEZZFQJ-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.35
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide

N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide (PubChem CID 91231735) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide
PubChem CID91231735
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(Sc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-3-28(4-2)19-18-27-26(30)22-12-10-20(11-13-22)25(21-14-16-23(29)17-15-21)31-24-8-6-5-7-9-24/h5-17,25,29H,3-4,18-19H2,1-2H3,(H,27,30)
InChIKeyFVOCCTLPEZZFQJ-UHFFFAOYSA-N
XLogP5.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide
CID 167924551
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide (CID 91231735) is N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(C(Sc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide?
The InChIKey is FVOCCTLPEZZFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-3-28(4-2)19-18-27-26(30)22-12-10-20(11-13-22)25(21-14-16-23(29)17-15-21)31-24-8-6-5-7-9-24/h5-17,25,29H,3-4,18-19H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide?
N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide has a molecular weight of 434.61 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide is sourced from PubChem (CID 91231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).