N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide

C15H15BrN2O2S — CID 9215276

IUPACN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10(2)20-13-5-3-11(4-6-13)15(19)18-17-8-14-7-12(16)9-21-14/h3-10H,1-2H3,(H,18,19)/b17-8-
InChIKeyPAYZHMBVGIFMSO-IUXPMGMMSA-N
MW367.27 g/mol
LogP4.06
Rot. Bonds5

About N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215276) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215276
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10(2)20-13-5-3-11(4-6-13)15(19)18-17-8-14-7-12(16)9-21-14/h3-10H,1-2H3,(H,18,19)/b17-8-
InChIKeyPAYZHMBVGIFMSO-IUXPMGMMSA-N
XLogP4.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 9232259
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(4-cyanophenoxy)propanamide
CID 42996884
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215678
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215276) is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is PAYZHMBVGIFMSO-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10(2)20-13-5-3-11(4-6-13)15(19)18-17-8-14-7-12(16)9-21-14/h3-10H,1-2H3,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 367.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).