3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C21H19N3O2S — CID 8869912

IUPAC3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-15-9-6-14(7-10-15)19-12-17(22)20(27-19)21(25)24-23-18-11-8-13-4-2-3-5-16(13)18/h2-7,9-10,12H,8,11,22H2,1H3,(H,24,25)/b23-18-
InChIKeyWXRXBAYHDMUVEC-NKFKGCMQSA-N
MW377.47 g/mol
LogP4.09
Rot. Bonds4

About 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 8869912) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID8869912
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-15-9-6-14(7-10-15)19-12-17(22)20(27-19)21(25)24-23-18-11-8-13-4-2-3-5-16(13)18/h2-7,9-10,12H,8,11,22H2,1H3,(H,24,25)/b23-18-
InChIKeyWXRXBAYHDMUVEC-NKFKGCMQSA-N
XLogP4.09
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
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-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
N-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
CID 5091527
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
CID 3893125
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 8869912) is 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(=O)N/N=C3/CCc4ccccc43)s2)cc1.
What is the InChIKey of 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is WXRXBAYHDMUVEC-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-15-9-6-14(7-10-15)19-12-17(22)20(27-19)21(25)24-23-18-11-8-13-4-2-3-5-16(13)18/h2-7,9-10,12H,8,11,22H2,1H3,(H,24,25)/b23-18-.
What are the key properties of 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).