N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride

C24H24ClN3O3S — CID 18765827

IUPACN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride
SMILESC1C2=C(C=CC(=C2)O)C=CC1(C(=O)NCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N)O.Cl
InChIInChI=1S/C24H23N3O3S.ClH/c25-22(21-2-1-13-31-21)27-19-6-3-16(4-7-19)10-12-26-23(29)24(30)11-9-17-5-8-20(28)14-18(17)15-24;/h1-9,11,13-14,28,30H,10,12,15H2,(H2,25,27)(H,26,29);1H
InChIKeyDRCUWEDDQAQBLH-UHFFFAOYSA-N
MW470.00 g/mol
LogP—
Rot. Bonds6

About N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride

N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride (PubChem CID 18765827) has the molecular formula C24H24ClN3O3S and a molecular weight of 470.00 g/mol. Its IUPAC name is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride
PubChem CID18765827
Molecular FormulaC24H24ClN3O3S
Molecular Weight470.00 g/mol
Exact Mass469.12
IUPAC NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride
SMILESC1C2=C(C=CC(=C2)O)C=CC1(C(=O)NCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N)O.Cl
InChIInChI=1S/C24H23N3O3S.ClH/c25-22(21-2-1-13-31-21)27-19-6-3-16(4-7-19)10-12-26-23(29)24(30)11-9-17-5-8-20(28)14-18(17)15-24;/h1-9,11,13-14,28,30H,10,12,15H2,(H2,25,27)(H,26,29);1H
InChIKeyDRCUWEDDQAQBLH-UHFFFAOYSA-N
XLogP—
TPSA136.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity692

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride 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

(E)-N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 18765739
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide
CID 18765828
N-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide
CID 22646268
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 57025401
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(2,7-dihydroxy-1H-naphthalen-2-yl)acetamide
CID 139922644
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2,7-dihydroxynaphthalen-1-yl)propanamide
CID 9910613
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide
CID 10296408

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride (CID 18765827) is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride is C1C2=C(C=CC(=C2)O)C=CC1(C(=O)NCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N)O.Cl.
What is the InChIKey of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride?
The InChIKey is DRCUWEDDQAQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S.ClH/c25-22(21-2-1-13-31-21)27-19-6-3-16(4-7-19)10-12-26-23(29)24(30)11-9-17-5-8-20(28)14-18(17)15-24;/h1-9,11,13-14,28,30H,10,12,15H2,(H2,25,27)(H,26,29);1H.
What are the key properties of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride?
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride has a molecular weight of 470.00 g/mol, XLogP of not available, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxy-1H-naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).