N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide

C24H21N3O3S — CID 10296408

IUPACN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide
SMILESN/C(=N\c1ccc(CCNC(=O)c2c(O)ccc3ccc(O)cc23)cc1)c1cccs1
InChIInChI=1S/C24H21N3O3S/c25-23(21-2-1-13-31-21)27-17-7-3-15(4-8-17)11-12-26-24(30)22-19-14-18(28)9-5-16(19)6-10-20(22)29/h1-10,13-14,28-29H,11-12H2,(H2,25,27)(H,26,30)
InChIKeyMVRNIDZURWCTJL-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.32
Rot. Bonds6

About N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide

N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide (PubChem CID 10296408) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide
PubChem CID10296408
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide
SMILESN/C(=N\c1ccc(CCNC(=O)c2c(O)ccc3ccc(O)cc23)cc1)c1cccs1
InChIInChI=1S/C24H21N3O3S/c25-23(21-2-1-13-31-21)27-17-7-3-15(4-8-17)11-12-26-24(30)22-19-14-18(28)9-5-16(19)6-10-20(22)29/h1-10,13-14,28-29H,11-12H2,(H2,25,27)(H,26,30)
InChIKeyMVRNIDZURWCTJL-UHFFFAOYSA-N
XLogP4.32
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide (CID 10296408) is N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide is N/C(=N\c1ccc(CCNC(=O)c2c(O)ccc3ccc(O)cc23)cc1)c1cccs1.
What is the InChIKey of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide?
The InChIKey is MVRNIDZURWCTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c25-23(21-2-1-13-31-21)27-17-7-3-15(4-8-17)11-12-26-24(30)22-19-14-18(28)9-5-16(19)6-10-20(22)29/h1-10,13-14,28-29H,11-12H2,(H2,25,27)(H,26,30).
What are the key properties of N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide?
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2,7-dihydroxynaphthalene-1-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.32, 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-dihydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 10296408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).