3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide

C21H21N3O2S — CID 8869920

IUPAC3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C\[C@H](C)c3ccccc3)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(15-6-4-3-5-7-15)13-23-24-21(25)20-18(22)12-19(27-20)16-8-10-17(26-2)11-9-16/h3-14H,22H2,1-2H3,(H,24,25)/b23-13-/t14-/m0/s1
InChIKeyPXKDJKYARPAYCT-LTOJSDLTSA-N
MW379.49 g/mol
LogP4.53
Rot. Bonds6

About 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide

3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide (PubChem CID 8869920) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
PubChem CID8869920
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C\[C@H](C)c3ccccc3)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(15-6-4-3-5-7-15)13-23-24-21(25)20-18(22)12-19(27-20)16-8-10-17(26-2)11-9-16/h3-14H,22H2,1-2H3,(H,24,25)/b23-13-/t14-/m0/s1
InChIKeyPXKDJKYARPAYCT-LTOJSDLTSA-N
XLogP4.53
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.53
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-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
CID 155806102
methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide (CID 8869920) is 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(=O)N/N=C\[C@H](C)c3ccccc3)s2)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide?
The InChIKey is PXKDJKYARPAYCT-LTOJSDLTSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(15-6-4-3-5-7-15)13-23-24-21(25)20-18(22)12-19(27-20)16-8-10-17(26-2)11-9-16/h3-14H,22H2,1-2H3,(H,24,25)/b23-13-/t14-/m0/s1.
What are the key properties of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide?
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 8869920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).