N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide

C19H23N3O4S2 — CID 155699714

IUPACN-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCSSCCNC(=O)c2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C19H23N3O4S2/c1-12-2-4-14(16(23)10-12)18(25)21-6-8-27-28-9-7-22-19(26)15-5-3-13(20)11-17(15)24/h2-5,10-11,23-24H,6-9,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyNNZSEOIXOMPRLS-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.53
Rot. Bonds9

About N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide

N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 155699714) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID155699714
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCSSCCNC(=O)c2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C19H23N3O4S2/c1-12-2-4-14(16(23)10-12)18(25)21-6-8-27-28-9-7-22-19(26)15-5-3-13(20)11-17(15)24/h2-5,10-11,23-24H,6-9,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyNNZSEOIXOMPRLS-UHFFFAOYSA-N
XLogP2.53
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
CID 10015078
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide
CID 115629353
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide (CID 155699714) is N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCSSCCNC(=O)c2ccc(N)cc2O)c(O)c1.
What is the InChIKey of N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is NNZSEOIXOMPRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-12-2-4-14(16(23)10-12)18(25)21-6-8-27-28-9-7-22-19(26)15-5-3-13(20)11-17(15)24/h2-5,10-11,23-24H,6-9,20H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide?
N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 421.54 g/mol, XLogP of 2.53, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 155699714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).