3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C21H19N3O3S — CID 8870023

IUPAC3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCOc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-14-8-6-13(7-9-14)19-12-16(22)20(28-19)21(25)24-23-17-10-11-27-18-5-3-2-4-15(17)18/h2-9,12H,10-11,22H2,1H3,(H,24,25)/b23-17-
InChIKeyKXBOIXCPCHNLSW-QJOMJCCJSA-N
MW393.47 g/mol
LogP3.92
Rot. Bonds4

About 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 8870023) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID8870023
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCOc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-14-8-6-13(7-9-14)19-12-16(22)20(28-19)21(25)24-23-17-10-11-27-18-5-3-2-4-15(17)18/h2-9,12H,10-11,22H2,1H3,(H,24,25)/b23-17-
InChIKeyKXBOIXCPCHNLSW-QJOMJCCJSA-N
XLogP3.92
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide 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

3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
N-(2-adamantylideneamino)-3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869859
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
2-[2-[(2E)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-1,3-thiazol-4-yl]-5-methoxyphenol
CID 117071560
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216689
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
CID 93092105

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 8870023) is 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCOc4ccccc43)s2)cc1.
What is the InChIKey of 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is KXBOIXCPCHNLSW-QJOMJCCJSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-14-8-6-13(7-9-14)19-12-16(22)20(28-19)21(25)24-23-17-10-11-27-18-5-3-2-4-15(17)18/h2-9,12H,10-11,22H2,1H3,(H,24,25)/b23-17-.
What are the key properties of 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8870023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).