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
SMILESCl.N/C(=N\c1ccc(CCNC(=O)C2(O)C=Cc3ccc(O)cc3C2)cc1)c1cccs1
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
MW469.99 g/mol
LogP3.57
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 469.99 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 Weight469.99 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
SMILESCl.N/C(=N\c1ccc(CCNC(=O)C2(O)C=Cc3ccc(O)cc3C2)cc1)c1cccs1
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
XLogP3.57
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 18765715
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(3,5-ditert-butyl-4-hydroxyphenoxy)acetamide;hydroiodide
CID 18765732
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-hydroxy-5-methoxy-3-methylbenzamide
CID 18765735
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetamide
CID 139922652
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 18765747
N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 70204881
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea;hydroiodide
CID 18765775
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-2-[(4-hydroxyphenyl)methylidene]butanamide
CID 139922641

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 Cl.N/C(=N\c1ccc(CCNC(=O)C2(O)C=Cc3ccc(O)cc3C2)cc1)c1cccs1.
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 469.99 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 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).