N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide

C19H24N2O2S — CID 70574408

IUPACN-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide
SMILESCc1ccc(CN)c(C)c1CSCCNC(=O)c1ccccc1O
InChIInChI=1S/C19H24N2O2S/c1-13-7-8-15(11-20)14(2)17(13)12-24-10-9-21-19(23)16-5-3-4-6-18(16)22/h3-8,22H,9-12,20H2,1-2H3,(H,21,23)
InChIKeyDAPPOBQGIACFEZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide

N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide (PubChem CID 70574408) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide
PubChem CID70574408
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide
SMILESCc1ccc(CN)c(C)c1CSCCNC(=O)c1ccccc1O
InChIInChI=1S/C19H24N2O2S/c1-13-7-8-15(11-20)14(2)17(13)12-24-10-9-21-19(23)16-5-3-4-6-18(16)22/h3-8,22H,9-12,20H2,1-2H3,(H,21,23)
InChIKeyDAPPOBQGIACFEZ-UHFFFAOYSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2176230
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dimethylbenzamide
CID 46653390
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
CID 59409974
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2,3-dimethoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 100530508
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27865734
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide (CID 70574408) is N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide is Cc1ccc(CN)c(C)c1CSCCNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide?
The InChIKey is DAPPOBQGIACFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-7-8-15(11-20)14(2)17(13)12-24-10-9-21-19(23)16-5-3-4-6-18(16)22/h3-8,22H,9-12,20H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide?
N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide has a molecular weight of 344.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(aminomethyl)-2,6-dimethylphenyl]methylsulfanyl]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 70574408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).